8010-0956 Screening compound: N-{2-[(2-chloropyridin-3-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

8010-0956 Screening compound: N-{2-[(2-chloropyridin-3-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide
8010-0956 Screening compound: N-{2-[(2-chloropyridin-3-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0956
N-{2-[(2-chloropyridin-3-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

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

8010-0956

Molecular Formula

C15H10ClF6N3O (C15 H10 ClF6 N3 O)

Compound Name

N-{2-[(2-chloropyridin-3-yl)amino]-1,1,1,3,3,3-hexafluoropropan-2-yl}benzamide

IUPAC name

N-{2-[(2-chloropyridin-3-yl)amino]-111333-hexafluoropropan-2-yl}benzamide

SMILES

O=C(c1ccccc1)NC(C(F)(F)F)(C(F)(F)F)Nc1cccnc1Cl

InChI

InChI=1S/C15H10ClF6N3O/c16-11-10(7-4-8-23-11)24-13(14(17,18)19,15(20,21)22)25-12(26)9-5-2-1-3-6-9/h1-8,24H,(H,25,26)

InChI Key

CXXDLZNKZRCFHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01871154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.71

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.972

Distribution Coefficient, logD

-0.713

Water Solubility, LogSw

-4.45

Polar Surface Area

42.514

Acid Dissociation Constant (pKa)

2.71

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8010-0956 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-0956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0956?
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What is the minimum amount of 8010-0956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0956
  • 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 8010-0956 available by request