V021-7324 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V021-7324 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V021-7324 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-7324
1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

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

V021-7324

Molecular Formula

C31H34ClFN6O (C31 H34 ClFN6 O)

Compound Name

1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(2-chlorobenzoyl)-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

Cc(c1c2nc(CC3CCCCC3)nc1N(CCC1)CCN1C(c(cccc1)c1Cl)=O)nn2-c(cc1)ccc1F

InChI

InChI=1S/C31H34ClFN6O/c1-21-28-29(37-16-7-17-38(19-18-37)31(40)25-10-5-6-11-26(25)32)34-27(20-22-8-3-2-4-9-22)35-30(28)39(36-21)24-14-12-23(33)13-15-24/h5-6,10-15,22H,2-4,7-9,16-20H2,1H3

InChI Key

DXMGTPOFKBVOEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862592

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

561.1

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.738

Distribution Coefficient, logD

6.048

Water Solubility, LogSw

-6.14

Polar Surface Area

54.673

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

V021-7324 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 V021-7324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7324?
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What is the minimum amount of V021-7324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7324
  • 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 V021-7324 available by request