V001-4134 Screening compound: 1-{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methyl-1-butanone

V001-4134 Screening compound: 1-{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methyl-1-butanone
V001-4134 Screening compound: 1-{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4134
1-{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methyl-1-butanone

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

V001-4134

Molecular Formula

C23H29ClN6O (C23 H29 ClN6 O)

Compound Name

1-{4-[1-(2-chlorophenyl)-3,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-3-methyl-1-butanone

IUPAC name

1-{4-[1-(2-chlorophenyl)-36-dimethyl-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepan-1-yl}-3-methylbutan-1-one

SMILES

CC(C)CC(N(CCC1)CCN1c1c(c(C)nn2-c(cccc3)c3Cl)c2nc(C)n1)=O

InChI

InChI=1S/C23H29ClN6O/c1-15(2)14-20(31)28-10-7-11-29(13-12-28)22-21-16(3)27-30(23(21)26-17(4)25-22)19-9-6-5-8-18(19)24/h5-6,8-9,15H,7,10-14H2,1-4H3

InChI Key

VKNPNLMIWRIZMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14253274

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

440.98

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

4.198

Distribution Coefficient, logD

3.879

Water Solubility, LogSw

-4.31

Polar Surface Area

52.818

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.83

References: we are preparing a list of scientific research reports with V001-4134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4134?
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What is the minimum amount of V001-4134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4134
  • 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 V001-4134 available by request