Y043-2873 Screening compound: 6-chloro-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

Y043-2873 Screening compound: 6-chloro-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide
Y043-2873 Screening compound: 6-chloro-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2873
6-chloro-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1-benzothiophene-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

Y043-2873

Molecular Formula

C18H13ClN4OS (C18 H13 ClN4 OS)

Compound Name

6-chloro-N-[4-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

IUPAC name

6-chloro-N-{4-[(1H-124-triazol-1-yl)methyl]phenyl}-1-benzothiophene-2-carboxamide

SMILES

O=C(c1cc(ccc(Cl)c2)c2s1)Nc1ccc(Cn2ncnc2)cc1

InChI

InChI=1S/C18H13ClN4OS/c19-14-4-3-13-7-17(25-16(13)8-14)18(24)22-15-5-1-12(2-6-15)9-23-11-20-10-21-23/h1-8,10-11H,9H2,(H,22,24)

InChI Key

RPOLOADPJYMJOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22204651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.35

Polar Surface Area

49.053

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

Y043-2873 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2873 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2873?
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What is the minimum amount of Y043-2873 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2873
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2873
  • 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 Y043-2873 available by request