V012-0328 Screening compound: 2-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one

V012-0328 Screening compound: 2-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one
V012-0328 Screening compound: 2-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-0328
2-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one

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

V012-0328

Molecular Formula

C30H34ClFN6O (C30 H34 ClFN6 O)

Compound Name

2-chloro-1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-phenylethan-1-one

IUPAC name

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

SMILES

CC(C)CCc1nc(n(-c(cc2)ccc2F)nc2C)c2c(N(CCC2)CCN2C(C(c2ccccc2)Cl)=O)n1

InChI

InChI=1S/C30H34ClFN6O/c1-20(2)10-15-25-33-28(26-21(3)35-38(29(26)34-25)24-13-11-23(32)12-14-24)36-16-7-17-37(19-18-36)30(39)27(31)22-8-5-4-6-9-22/h4-6,8-9,11-14,20,27H,7,10,15-19H2,1-3H3/t27-/m1/s1

InChI Key

ZNCVFVWEVCKRNT-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD19862810

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

549.09

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

6.476

Distribution Coefficient, logD

5.817

Water Solubility, LogSw

-5.91

Polar Surface Area

54.753

Acid Dissociation Constant (pKa)

18.08

Base Dissociation Constant (pKb)

7.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V012-0328 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V012-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-0328?
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What is the minimum amount of V012-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-0328
  • 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 V012-0328 available by request