V010-8964 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)-1-ethanone

V010-8964 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)-1-ethanone
V010-8964 Screening compound: 1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8964
1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)-1-ethanone

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

V010-8964

Molecular Formula

C28H33FN6OS (C28 H33 FN6 OS)

Compound Name

1-{4-[1-(4-fluorophenyl)-6-isopentyl-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-(2-thienyl)-1-ethanone

IUPAC name

1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

CC(C)CCc1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CCC2)CCN2C(Cc2cccs2)=O)n1

InChI

InChI=1S/C28H33FN6OS/c1-19(2)7-12-24-30-27(26-20(3)32-35(28(26)31-24)22-10-8-21(29)9-11-22)34-14-5-13-33(15-16-34)25(36)18-23-6-4-17-37-23/h4,6,8-11,17,19H,5,7,12-16,18H2,1-3H3

InChI Key

BMEZFAXNKVEULI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19862798

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.509

Distribution Coefficient, logD

4.851

Water Solubility, LogSw

-5.53

Polar Surface Area

55.244

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

References: we are preparing a list of scientific research reports with V010-8964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8964?
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What is the minimum amount of V010-8964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8964
  • 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 V010-8964 available by request