8011-8740 Screening compound: 4-amino-N~3~-(2-chloro-6-fluorobenzyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

8011-8740 Screening compound: 4-amino-N~3~-(2-chloro-6-fluorobenzyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboxamide
8011-8740 Screening compound: 4-amino-N~3~-(2-chloro-6-fluorobenzyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8740
4-amino-N~3~-(2-chloro-6-fluorobenzyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,5-oxadiazole-3-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

8011-8740

Molecular Formula

C16H16ClFN6O2 (C16 H16 ClFN6 O2)

Compound Name

4-amino-N~3~-(2-chloro-6-fluorobenzyl)-N~3~-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboxamide

IUPAC name

4-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-[(35-dimethyl-1H-pyrazol-1-yl)methyl]-125-oxadiazole-3-carboxamide

SMILES

Cc1cc(C)nn1CN(Cc(c(F)ccc1)c1Cl)C(c1nonc1N)=O

InChI

InChI=1S/C16H16ClFN6O2/c1-9-6-10(2)24(20-9)8-23(16(25)14-15(19)22-26-21-14)7-11-12(17)4-3-5-13(11)18/h3-6H,7-8H2,1-2H3,(H2,19,22)

InChI Key

ALMFEFMEPBPQNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933281

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

2.244

Water Solubility, LogSw

-3.00

Polar Surface Area

88.692

Acid Dissociation Constant (pKa)

16.00

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8011-8740 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 8011-8740 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8740?
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What is the minimum amount of 8011-8740 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8740
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8740
  • 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 8011-8740 available by request