V022-3802 Screening compound: 3-chloro-N-({5-[(2,5-difluorophenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-ethylbenzamide

V022-3802 Screening compound: 3-chloro-N-({5-[(2,5-difluorophenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-ethylbenzamide
V022-3802 Screening compound: 3-chloro-N-({5-[(2,5-difluorophenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-ethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3802
3-chloro-N-({5-[(2,5-difluorophenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-ethylbenzamide

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

V022-3802

Molecular Formula

C29H27ClF2N4O (C29 H27 ClF2 N4 O)

Compound Name

3-chloro-N-({5-[(2,5-difluorophenyl)methyl]-1-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl}methyl)-N-ethylbenzamide

IUPAC name

3-chloro-N-({5-[(25-difluorophenyl)methyl]-1-phenyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)-N-ethylbenzamide

SMILES

CCN(Cc(c1c2CCN(Cc(cc(cc3)F)c3F)C1)nn2-c1ccccc1)C(c1cccc(Cl)c1)=O

InChI

InChI=1S/C29H27ClF2N4O/c1-2-35(29(37)20-7-6-8-22(30)15-20)19-27-25-18-34(17-21-16-23(31)11-12-26(21)32)14-13-28(25)36(33-27)24-9-4-3-5-10-24/h3-12,15-16H,2,13-14,17-19H2,1H3

InChI Key

UTNVPHGIJCVAPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19934961

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

521.01

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-5.83

Polar Surface Area

34.660

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

10.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

V022-3802 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 V022-3802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3802?
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What is the minimum amount of V022-3802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3802
  • 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 V022-3802 available by request