Y043-8512 Screening compound: 4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-N-[3-(2-thienyl)-1H-1,2,4-triazol-5-yl]-3-thiophenecarboxamide

Y043-8512 Screening compound: 4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-N-[3-(2-thienyl)-1H-1,2,4-triazol-5-yl]-3-thiophenecarboxamide
Y043-8512 Screening compound: 4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-N-[3-(2-thienyl)-1H-1,2,4-triazol-5-yl]-3-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8512
4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-N-[3-(2-thienyl)-1H-1,2,4-triazol-5-yl]-3-thiophenecarboxamide

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

Y043-8512

Molecular Formula

C14H12N8OS2 (C14 H12 N8 OS2)

Compound Name

4,5-dimethyl-2-(1H-1,2,3,4-tetraazol-1-yl)-N-[3-(2-thienyl)-1H-1,2,4-triazol-5-yl]-3-thiophenecarboxamide

IUPAC name

45-dimethyl-2-(1H-1234-tetrazol-1-yl)-N-[3-(thiophen-2-yl)-1H-124-triazol-5-yl]thiophene-3-carboxamide

SMILES

Cc1c(C)sc(-n2nnnc2)c1C(Nc1nc(-c2cccs2)n[nH]1)=O

InChI

InChI=1S/C14H12N8OS2/c1-7-8(2)25-13(22-6-15-20-21-22)10(7)12(23)17-14-16-11(18-19-14)9-4-3-5-24-9/h3-6H,1-2H3,(H2,16,17,18,19,23)

InChI Key

WVRDOLXPGVNBBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32008962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-3.23

Polar Surface Area

100.101

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y043-8512 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 Y043-8512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8512?
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What is the minimum amount of Y043-8512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8512
  • 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 Y043-8512 available by request