V022-4100 Screening compound: 2-{4-[3-amino-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one

V022-4100 Screening compound: 2-{4-[3-amino-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one
V022-4100 Screening compound: 2-{4-[3-amino-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-4100
2-{4-[3-amino-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one

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

V022-4100

Molecular Formula

C27H27F3N8O2 (C27 H27 F3 N8 O2)

Compound Name

2-{4-[3-amino-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{4-[3-amino-2-(25-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[34-d]pyrimidin-6-yl]piperazin-1-yl}-1-(morpholin-4-yl)ethan-1-one

SMILES

Nc1c2c(-c3cc(F)ccc3)nc(N3CCN(CC(N4CCOCC4)=O)CC3)nc2nn1-c(cc(cc1)F)c1F

InChI

InChI=1S/C27H27F3N8O2/c28-18-3-1-2-17(14-18)24-23-25(31)38(21-15-19(29)4-5-20(21)30)34-26(23)33-27(32-24)37-8-6-35(7-9-37)16-22(39)36-10-12-40-13-11-36/h1-5,14-15H,6-13,16,31H2

InChI Key

LDMBRXOUQKEDOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250181

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.918

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.41

Polar Surface Area

83.362

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V022-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-4100?
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What is the minimum amount of V022-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-4100
  • 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 V022-4100 available by request