V002-4882 Screening compound: 1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

V002-4882 Screening compound: 1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane
V002-4882 Screening compound: 1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-4882
1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-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

V002-4882

Molecular Formula

C25H35ClN6O2S (C25 H35 ClN6 O2 S)

Compound Name

1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepane

IUPAC name

1-(butane-1-sulfonyl)-4-[1-(3-chlorophenyl)-6-(3-methylbutyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]-14-diazepane

SMILES

CCCCS(N(CCC1)CCN1c1c(cnn2-c3cccc(Cl)c3)c2nc(CCC(C)C)n1)(=O)=O

InChI

InChI=1S/C25H35ClN6O2S/c1-4-5-16-35(33,34)31-13-7-12-30(14-15-31)24-22-18-27-32(21-9-6-8-20(26)17-21)25(22)29-23(28-24)11-10-19(2)3/h6,8-9,17-19H,4-5,7,10-16H2,1-3H3

InChI Key

CSDGAEHZSUTHLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19935355

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

519.11

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.252

Distribution Coefficient, logD

6.129

Water Solubility, LogSw

-6.17

Polar Surface Area

69.628

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.00

V002-4882 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V002-4882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-4882?
Check Price and Availability of V002-4882, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-4882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-4882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-4882
  • 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 V002-4882 available by request