V010-9021 Screening compound: 1-cyclopropanecarbonyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V010-9021 Screening compound: 1-cyclopropanecarbonyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V010-9021 Screening compound: 1-cyclopropanecarbonyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9021
1-cyclopropanecarbonyl-4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-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

V010-9021

Molecular Formula

C26H33FN6O (C26 H33 FN6 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCc1nc(N(CCC2)CCN2C(C2CC2)=O)c(c(C)nn2-c(cc3)ccc3F)c2n1

InChI

InChI=1S/C26H33FN6O/c1-17(2)5-12-22-28-24(31-13-4-14-32(16-15-31)26(34)19-6-7-19)23-18(3)30-33(25(23)29-22)21-10-8-20(27)9-11-21/h8-11,17,19H,4-7,12-16H2,1-3H3

InChI Key

UMIAOVNMTAKZMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862791

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.119

Distribution Coefficient, logD

4.460

Water Solubility, LogSw

-5.10

Polar Surface Area

55.276

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with V010-9021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9021?
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What is the minimum amount of V010-9021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9021
  • 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 V010-9021 available by request