V024-8462 Screening compound: 1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

V024-8462 Screening compound: 1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane
V024-8462 Screening compound: 1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-8462
1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-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

V024-8462

Molecular Formula

C28H29FN6O (C28 H29 FN6 O)

Compound Name

1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-1,4-diazepane

IUPAC name

1-[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(2-fluorobenzoyl)-14-diazepane

SMILES

Cc(c1c2nc(C3CC3)nc1N(CCC1)CCN1C(c(cccc1)c1F)=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C28H29FN6O/c1-18-8-12-21(13-9-18)35-27-24(19(2)32-35)26(30-25(31-27)20-10-11-20)33-14-5-15-34(17-16-33)28(36)22-6-3-4-7-23(22)29/h3-4,6-9,12-13,20H,5,10-11,14-17H2,1-2H3

InChI Key

ULVGLEUVKDEPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14260500

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

484.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.249

Distribution Coefficient, logD

3.612

Water Solubility, LogSw

-5.17

Polar Surface Area

54.014

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

9.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

V024-8462 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 V024-8462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-8462?
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What is the minimum amount of V024-8462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-8462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-8462
  • 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 V024-8462 available by request