V018-7821 Screening compound: 4-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(4-methylbenzyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

V018-7821 Screening compound: 4-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(4-methylbenzyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine
V018-7821 Screening compound: 4-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(4-methylbenzyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-7821
4-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(4-methylbenzyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

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

V018-7821

Molecular Formula

C32H34N6O2S (C32 H34 N6 O2 S)

Compound Name

4-[4-(benzylsulfonyl)-1,4-diazepan-1-yl]-3-methyl-6-(4-methylbenzyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine

IUPAC name

1-{3-methyl-6-[(4-methylphenyl)methyl]-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-14-diazepane

SMILES

Cc(c1c2nc(Cc3ccc(C)cc3)nc1N(CCC1)CCN1S(Cc1ccccc1)(=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C32H34N6O2S/c1-24-14-16-26(17-15-24)22-29-33-31(30-25(2)35-38(32(30)34-29)28-12-7-4-8-13-28)36-18-9-19-37(21-20-36)41(39,40)23-27-10-5-3-6-11-27/h3-8,10-17H,9,18-23H2,1-2H3

InChI Key

ZUTNQGRQVVXGQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19856952

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

566.73

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.454

Water Solubility, LogSw

-5.73

Polar Surface Area

69.438

Acid Dissociation Constant (pKa)

20.60

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.13

References: we are preparing a list of scientific research reports with V018-7821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-7821?
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What is the minimum amount of V018-7821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-7821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-7821
  • 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 V018-7821 available by request