V021-7395 Screening compound: 1-cyclohexanecarbonyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V021-7395 Screening compound: 1-cyclohexanecarbonyl-4-[6-(cyclohexylmethyl)-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V021-7395 Screening compound: 1-cyclohexanecarbonyl-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 V021-7395
1-cyclohexanecarbonyl-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

V021-7395

Molecular Formula

C31H41FN6O (C31 H41 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(c1c(N(CCC2)CCN2C(C2CCCCC2)=O)nc(CC2CCCCC2)nc11)nn1-c(cc1)ccc1F

InChI

InChI=1S/C31H41FN6O/c1-22-28-29(36-17-8-18-37(20-19-36)31(39)24-11-6-3-7-12-24)33-27(21-23-9-4-2-5-10-23)34-30(28)38(35-22)26-15-13-25(32)14-16-26/h13-16,23-24H,2-12,17-21H2,1H3

InChI Key

UTZLQPHLLPXQKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862598

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

532.7

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

6.949

Distribution Coefficient, logD

6.258

Water Solubility, LogSw

-5.93

Polar Surface Area

54.865

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.30

V021-7395 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V021-7395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-7395?
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What is the minimum amount of V021-7395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-7395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-7395
  • 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 V021-7395 available by request