K935-0052 Screening compound: 2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-tert-butylphenyl)formamido]-3-(1H-indol-3-yl)propanoate

Chemical Structure Depiction of ChemDiv screening compound K935-0052
2-oxo-2-[4-(4-propylcyclohexyl)phenyl]ethyl 2-[(4-tert-butylphenyl)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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K935-0052

Molecular Formula

C₃₉H₄₆N₂O₄ (C39 H46 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C39H46N2O4/c1-5-8-26-11-13-27(14-12-26)28-15-17-29(18-16-28)36(42)25-45-38(44)35(23-31-24-40-34-10-7-6-9-33(31)34)41-37(43)30-19-21-32(22-20-30)39(2,3)4/h6-7,9-10,15-22,24,26-27,35,40H,5,8,11-14,23,25H2,1-4H3,(H,41,43)/t26?,27?,35-/m0/s1

InChI Key

PJWXPWZMBNOVFP-IVTYEHKNSA-N

MDL Number (MFCD)

MFCD06663606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.81

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

9.465

Distribution Coefficient, logD

9.465

Water Solubility, LogSw

-6.15

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

41.00

K935-0052 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

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

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Cyclic compounds

Targets:

Phosphatases

References: we are preparing a list of scientific research reports with K935-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K935-0052?
Check Price and Availability of K935-0052, 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 K935-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K935-0052
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K935-0052

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 K935-0052 available by request