Y040-8958 Screening compound: 2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

Y040-8958 Screening compound: 2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide
Y040-8958 Screening compound: 2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8958
2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

Y040-8958

Molecular Formula

C22H20N4O3S (C22 H20 N4 O3 S)

Compound Name

2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(1,3-thiazol-2-yl)propanamide

IUPAC name

(2S)-2-[(6-methoxy-1H-indol-2-yl)formamido]-3-phenyl-N-(13-thiazol-2-yl)propanamide

SMILES

COc1cc([nH]c(C(NC(Cc2ccccc2)C(Nc2nccs2)=O)=O)c2)c2cc1

InChI

InChI=1S/C22H20N4O3S/c1-29-16-8-7-15-12-19(24-17(15)13-16)20(27)25-18(11-14-5-3-2-4-6-14)21(28)26-22-23-9-10-30-22/h2-10,12-13,18,24H,11H2,1H3,(H,25,27)(H,23,26,28)/t18-/m0/s1

InChI Key

XDENBYGOCFAOBG-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.206

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.25

Polar Surface Area

74.745

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

Y040-8958 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-8958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8958?
Check Price and Availability of Y040-8958, 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 Y040-8958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8958
  • 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 Y040-8958 available by request