V019-4639 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-1,4-diazepane

V019-4639 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-1,4-diazepane
V019-4639 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-4639
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-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

V019-4639

Molecular Formula

C31H32N6O2S (C31 H32 N6 O2 S)

Compound Name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-phenylmethanesulfonyl-1,4-diazepane

IUPAC name

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

SMILES

Cc(c1c2nc(Cc3ccccc3)nc1N(CCC1)CCN1S(Cc1ccccc1)(=O)=O)nn2-c1ccccc1

InChI

InChI=1S/C31H32N6O2S/c1-24-29-30(35-18-11-19-36(21-20-35)40(38,39)23-26-14-7-3-8-15-26)32-28(22-25-12-5-2-6-13-25)33-31(29)37(34-24)27-16-9-4-10-17-27/h2-10,12-17H,11,18-23H2,1H3

InChI Key

RYPLVSZCUPYHGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854119

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

552.7

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

5.133

Distribution Coefficient, logD

5.031

Water Solubility, LogSw

-5.24

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

25.80

V019-4639 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V019-4639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-4639?
Check Price and Availability of V019-4639, 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 V019-4639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-4639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-4639
  • 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 V019-4639 available by request