V025-0654 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V025-0654 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V025-0654 Screening compound: 1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0654
1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-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

V025-0654

Molecular Formula

C27H29ClN6O2 (C27 H29 ClN6 O2)

Compound Name

1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(2-chlorobenzoyl)-4-[6-(methoxymethyl)-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

Cc(c1c2nc(COC)nc1N(CCC1)CCN1C(c(cccc1)c1Cl)=O)nn2-c1ccc(C)cc1

InChI

InChI=1S/C27H29ClN6O2/c1-18-9-11-20(12-10-18)34-26-24(19(2)31-34)25(29-23(30-26)17-36-3)32-13-6-14-33(16-15-32)27(35)21-7-4-5-8-22(21)28/h4-5,7-12H,6,13-17H2,1-3H3

InChI Key

BVZHBWPYPSZFKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14259817

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

505.02

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.403

Distribution Coefficient, logD

4.163

Water Solubility, LogSw

-4.53

Polar Surface Area

63.177

Acid Dissociation Constant (pKa)

21.58

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with V025-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0654?
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What is the minimum amount of V025-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0654
  • 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 V025-0654 available by request