8016-6937 Screening compound: N~7~-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

8016-6937 Screening compound: N~7~-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide
8016-6937 Screening compound: N~7~-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6937
N~7~-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-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

8016-6937

Molecular Formula

C12H9Cl2N5O2 (C12 H9 Cl2 N5 O2)

Compound Name

N~7~-(2,4-dichlorophenyl)-5-oxo-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxamide

IUPAC name

N-(24-dichlorophenyl)-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-carboxamide

SMILES

O=C(C(C1)n2ncnc2NC1=O)Nc(ccc(Cl)c1)c1Cl

InChI

InChI=1S/C12H9Cl2N5O2/c13-6-1-2-8(7(14)3-6)17-11(21)9-4-10(20)18-12-15-5-16-19(9)12/h1-3,5,9H,4H2,(H,17,21)(H,15,16,18,20)/t9-/m0/s1

InChI Key

GBSIFZRTJQTQFB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05858393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.14

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.540

Distribution Coefficient, logD

1.518

Water Solubility, LogSw

-2.52

Polar Surface Area

74.916

Acid Dissociation Constant (pKa)

8.69

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.67

8016-6937 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 8016-6937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6937?
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What is the minimum amount of 8016-6937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6937
  • 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 8016-6937 available by request