V022-5164 Screening compound: 4-(2,3-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V022-5164 Screening compound: 4-(2,3-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V022-5164 Screening compound: 4-(2,3-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5164
4-(2,3-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

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

V022-5164

Molecular Formula

C29H26F3N7O (C29 H26 F3 N7 O)

Compound Name

4-(2,3-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

4-(23-difluorophenyl)-6-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}-2-(4-methoxyphenyl)-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

COc(cc1)ccc1-n(c(N)c12)nc2nc(N2CCN(Cc(cc3)ccc3F)CC2)nc1-c1cccc(F)c1F

InChI

InChI=1S/C29H26F3N7O/c1-40-21-11-9-20(10-12-21)39-27(33)24-26(22-3-2-4-23(31)25(22)32)34-29(35-28(24)36-39)38-15-13-37(14-16-38)17-18-5-7-19(30)8-6-18/h2-12H,13-17,33H2,1H3

InChI Key

MOVHGAKMDRXUOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249846

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

5.431

Water Solubility, LogSw

-5.75

Polar Surface Area

66.905

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

6.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V022-5164 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V022-5164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5164?
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What is the minimum amount of V022-5164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5164
  • 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 V022-5164 available by request