K935-0031 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

Chemical Structure Depiction of ChemDiv screening compound K935-0031
2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K935-0031

Molecular Formula

C₃₇H₄₂N₂O₄ (C37 H42 N2 O4)

Compound Name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

IUPAC name

2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-ethylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(COC(C(Cc1c[nH]c2c1cccc2)NC(c1ccc(CC)cc1)=O)=O)=O

InChI

InChI=1S/C37H42N2O4/c1-3-7-26-12-14-27(15-13-26)28-18-20-29(21-19-28)35(40)24-43-37(42)34(22-31-23-38-33-9-6-5-8-32(31)33)39-36(41)30-16-10-25(4-2)11-17-30/h5-6,8-11,16-21,23,26-27,34,38H,3-4,7,12-15,22,24H2,1-2H3,(H,39,41)/t26?,27?,34-/m0/s1

InChI Key

XLOMAHIVNRSLCU-ZKMANVEGSA-N

MDL Number (MFCD)

MFCD06663597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

578.75

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

8.601

Distribution Coefficient, logD

8.601

Water Solubility, LogSw

-6.23

Polar Surface Area

68.178

Acid Dissociation Constant (pK_a)

11.56

Base Dissociation Constant (pK_b)

-3.35

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

37.80

K935-0031 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Cardiovascular
Metabolic
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Infections
Immune system
animal
Cancer
Nervous system
Hemic and lymphatic
Endocrine
Immune system
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Mechanism of action:

PPI modulators
PPI modulators
Epigenetic

Structure:

Cyclic compounds

Targets:

Proteases
Phosphatases

References: we are preparing a list of scientific research reports with K935-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0031?
Check Price and Availability of K935-0031, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K935-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K935-0031
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K935-0031

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K935-0031 available by request