V019-4651 Screening compound: 2,5-dichlorophenyl [4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl] sulfone

V019-4651 Screening compound: 2,5-dichlorophenyl [4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl] sulfone
V019-4651 Screening compound: 2,5-dichlorophenyl [4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-4651
2,5-dichlorophenyl [4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl] sulfone

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

V019-4651

Molecular Formula

C26H28Cl2N6O2S (C26 H28 Cl2 N6 O2 S)

Compound Name

2,5-dichlorophenyl [4-(3-methyl-1-phenyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl] sulfone

IUPAC name

1-(25-dichlorobenzenesulfonyl)-4-{3-methyl-1-phenyl-6-propyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepane

SMILES

CCCc1nc(n(-c2ccccc2)nc2C)c2c(N(CCC2)CCN2S(c(cc(cc2)Cl)c2Cl)(=O)=O)n1

InChI

InChI=1S/C26H28Cl2N6O2S/c1-3-8-23-29-25(24-18(2)31-34(26(24)30-23)20-9-5-4-6-10-20)32-13-7-14-33(16-15-32)37(35,36)22-17-19(27)11-12-21(22)28/h4-6,9-12,17H,3,7-8,13-16H2,1-2H3

InChI Key

SXULAXTVQKFWIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19853883

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

559.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.797

Distribution Coefficient, logD

5.353

Water Solubility, LogSw

-6.03

Polar Surface Area

69.815

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

V019-4651 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 V019-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-4651?
Check Price and Availability of V019-4651, 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 V019-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-4651
  • 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 V019-4651 available by request