V024-9113 Screening compound: 1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-fluorobenzoyl)-1,4-diazepane

V024-9113 Screening compound: 1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-fluorobenzoyl)-1,4-diazepane
V024-9113 Screening compound: 1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-fluorobenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-9113
1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-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

V024-9113

Molecular Formula

C26H26ClFN6O (C26 H26 ClFN6 O)

Compound Name

1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-4-(4-fluorobenzoyl)-1,4-diazepane

IUPAC name

1-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-4-(4-fluorobenzoyl)-14-diazepane

SMILES

CC(C)c1nc(N(CCC2)CCN2C(c(cc2)ccc2F)=O)c(cnn2-c3cccc(Cl)c3)c2n1

InChI

InChI=1S/C26H26ClFN6O/c1-17(2)23-30-24(22-16-29-34(25(22)31-23)21-6-3-5-19(27)15-21)32-11-4-12-33(14-13-32)26(35)18-7-9-20(28)10-8-18/h3,5-10,15-17H,4,11-14H2,1-2H3

InChI Key

CMWYEEIDJYRURH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13268170

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

492.98

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

5.657

Distribution Coefficient, logD

5.592

Water Solubility, LogSw

-6.01

Polar Surface Area

53.409

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with V024-9113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-9113?
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What is the minimum amount of V024-9113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-9113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-9113
  • 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 V024-9113 available by request