Y040-6167 Screening compound: N-[(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

Y040-6167 Screening compound: N-[(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide
Y040-6167 Screening compound: N-[(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6167
N-[(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

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

Y040-6167

Molecular Formula

C20H18N4O3S (C20 H18 N4 O3 S)

Compound Name

N-[(1R)-2-(1,3-benzothiazol-2-ylamino)-1-methyl-2-oxoethyl]-4-methoxy-1H-indole-2-carboxamide

IUPAC name

(2R)-N-(13-benzothiazol-2-yl)-2-[(4-methoxy-1H-indol-2-yl)formamido]propanamide

SMILES

CC(C(Nc1nc(cccc2)c2s1)=O)NC(c1cc(c(OC)ccc2)c2[nH]1)=O

InChI

InChI=1S/C20H18N4O3S/c1-11(18(25)24-20-23-14-6-3-4-9-17(14)28-20)21-19(26)15-10-12-13(22-15)7-5-8-16(12)27-2/h3-11,22H,1-2H3,(H,21,26)(H,23,24,25)/t11-/m0/s1

InChI Key

NHZLCCHIAPDOAN-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.162

Water Solubility, LogSw

-4.41

Polar Surface Area

73.919

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

Y040-6167 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Indole Derivatives (10091 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Structure:
  • Cyclic compounds
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-6167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6167?
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What is the minimum amount of Y040-6167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6167
  • 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 Y040-6167 available by request