V001-9966 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-tert-butylbenzenesulfonyl)-1,4-diazepane

V001-9966 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-tert-butylbenzenesulfonyl)-1,4-diazepane
V001-9966 Screening compound: 1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-tert-butylbenzenesulfonyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-9966
1-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-4-(4-tert-butylbenzenesulfonyl)-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

V001-9966

Molecular Formula

C34H38N6O2S (C34 H38 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1S(N(CCC1)CCN1c1nc(Cc2ccccc2)nc2c1c(C)nn2-c1ccccc1)(=O)=O

InChI

InChI=1S/C34H38N6O2S/c1-25-31-32(38-20-11-21-39(23-22-38)43(41,42)29-18-16-27(17-19-29)34(2,3)4)35-30(24-26-12-7-5-8-13-26)36-33(31)40(37-25)28-14-9-6-10-15-28/h5-10,12-19H,11,20-24H2,1-4H3

InChI Key

NIQPTXQHTLFYDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19854123

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

594.78

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

7.328

Distribution Coefficient, logD

7.226

Water Solubility, LogSw

-6.11

Polar Surface Area

69.544

Acid Dissociation Constant (pKa)

21.44

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.40

V001-9966 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V001-9966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-9966?
Check Price and Availability of V001-9966, 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 V001-9966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-9966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-9966
  • 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 V001-9966 available by request