V007-9231 Screening compound: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-3-carboxamide

V007-9231 Screening compound: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-3-carboxamide
V007-9231 Screening compound: N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-9231
N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-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

V007-9231

Molecular Formula

C24H21ClFN3O2S (C24 H21 ClFN3 O2 S)

Compound Name

N-[(5-chloro-1,3-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-3-carboxamide

IUPAC name

N-[(5-chloro-13-benzoxazol-2-yl)methyl]-N-[(4-fluorophenyl)methyl]-2-(propylsulfanyl)pyridine-3-carboxamide

SMILES

CCCSc(nccc1)c1C(N(Cc1nc(cc(cc2)Cl)c2o1)Cc(cc1)ccc1F)=O

InChI

InChI=1S/C24H21ClFN3O2S/c1-2-12-32-23-19(4-3-11-27-23)24(30)29(14-16-5-8-18(26)9-6-16)15-22-28-20-13-17(25)7-10-21(20)31-22/h3-11,13H,2,12,14-15H2,1H3

InChI Key

GSPLTPBGGJOCGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19963091

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

469.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.308

Distribution Coefficient, logD

5.308

Water Solubility, LogSw

-5.79

Polar Surface Area

42.105

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with V007-9231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-9231?
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What is the minimum amount of V007-9231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-9231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-9231
  • 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 V007-9231 available by request