V011-1829 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-1,4-diazepane

V011-1829 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-1,4-diazepane
V011-1829 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-1829
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-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

V011-1829

Molecular Formula

C32H32N6O2S (C32 H32 N6 O2 S)

Compound Name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-1,4-diazepane

IUPAC name

1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-4-[(1E)-2-phenylethenesulfonyl]-14-diazepane

SMILES

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

InChI

InChI=1S/C32H32N6O2S/c1-25-30-31(36-19-11-20-37(22-21-36)41(39,40)23-18-26-12-5-2-6-13-26)33-29(24-27-14-7-3-8-15-27)34-32(30)38(35-25)28-16-9-4-10-17-28/h2-10,12-18,23H,11,19-22,24H2,1H3

InChI Key

KCCVIMNTKYFWHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854127

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

564.71

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

5.743

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.79

Polar Surface Area

69.438

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.90

V011-1829 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V011-1829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-1829?
Check Price and Availability of V011-1829, 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 V011-1829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-1829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-1829
  • 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 V011-1829 available by request