8017-8389 Screening compound: N~6~-(4-chlorophenyl)-5-methyl-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

8017-8389 Screening compound: N~6~-(4-chlorophenyl)-5-methyl-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
8017-8389 Screening compound: N~6~-(4-chlorophenyl)-5-methyl-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8389
N~6~-(4-chlorophenyl)-5-methyl-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-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

8017-8389

Molecular Formula

C17H14ClN5OS (C17 H14 ClN5 OS)

Compound Name

N~6~-(4-chlorophenyl)-5-methyl-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

IUPAC name

N-(4-chlorophenyl)-5-methyl-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxamide

SMILES

CC(Nc1ncnn1C1c2cccs2)=C1C(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C17H14ClN5OS/c1-10-14(16(24)22-12-6-4-11(18)5-7-12)15(13-3-2-8-25-13)23-17(21-10)19-9-20-23/h2-9,15H,1H3,(H,22,24)(H,19,20,21)/t15-/m0/s1

InChI Key

AOONVIKDQNAUBM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06618605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.85

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.319

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-3.81

Polar Surface Area

62.099

Acid Dissociation Constant (pKa)

9.62

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.76

8017-8389 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-8389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8389?
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What is the minimum amount of 8017-8389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8389
  • 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 8017-8389 available by request