V022-5136 Screening compound: 4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

V022-5136 Screening compound: 4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine
V022-5136 Screening compound: 4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-5136
4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-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

V022-5136

Molecular Formula

C22H20F2N6OS (C22 H20 F2 N6 OS)

Compound Name

4-(2,3-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-amine

IUPAC name

4-(23-difluorophenyl)-2-(4-methoxyphenyl)-6-(thiomorpholin-4-yl)-2H-pyrazolo[34-d]pyrimidin-3-amine

SMILES

COc(cc1)ccc1-n(c(N)c12)nc2nc(N2CCSCC2)nc1-c(cccc1F)c1F

InChI

InChI=1S/C22H20F2N6OS/c1-31-14-7-5-13(6-8-14)30-20(25)17-19(15-3-2-4-16(23)18(15)24)26-22(27-21(17)28-30)29-9-11-32-12-10-29/h2-8H,9-12,25H2,1H3

InChI Key

FFJIJHXALFWUQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14249845

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.557

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.71

Polar Surface Area

63.365

Acid Dissociation Constant (pKa)

20.42

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V022-5136 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V022-5136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-5136?
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What is the minimum amount of V022-5136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-5136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-5136
  • 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 V022-5136 available by request