V020-4433 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-methanesulfonyl-1,4-diazepane

V020-4433 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-methanesulfonyl-1,4-diazepane
V020-4433 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-methanesulfonyl-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4433
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-methanesulfonyl-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

V020-4433

Molecular Formula

C25H28N6O2S (C25 H28 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H28N6O2S/c1-19-23-24(29-14-9-15-30(17-16-29)34(2,32)33)26-22(18-20-10-5-3-6-11-20)27-25(23)31(28-19)21-12-7-4-8-13-21/h3-8,10-13H,9,14-18H2,1-2H3

InChI Key

REGJYQQALDZRKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854129

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.848

Distribution Coefficient, logD

3.747

Water Solubility, LogSw

-4.18

Polar Surface Area

69.308

Acid Dissociation Constant (pKa)

21.75

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

V020-4433 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V020-4433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4433?
Check Price and Availability of V020-4433, 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 V020-4433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4433
  • 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 V020-4433 available by request