V018-9722 Screening compound: 1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

V018-9722 Screening compound: 1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one
V018-9722 Screening compound: 1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-9722
1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

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

V018-9722

Molecular Formula

C34H36N6O (C34 H36 N6 O)

Compound Name

1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2-phenylbutan-1-one

IUPAC name

1-(4-{6-benzyl-3-methyl-1-phenyl-1H-pyrazolo[34-d]pyrimidin-4-yl}-14-diazepan-1-yl)-2-phenylbutan-1-one

SMILES

CCC(C(N(CCC1)CCN1c1nc(Cc2ccccc2)nc2c1c(C)nn2-c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C34H36N6O/c1-3-29(27-16-9-5-10-17-27)34(41)39-21-13-20-38(22-23-39)32-31-25(2)37-40(28-18-11-6-12-19-28)33(31)36-30(35-32)24-26-14-7-4-8-15-26/h4-12,14-19,29H,3,13,20-24H2,1-2H3/t29-/m1/s1

InChI Key

NXAZXWIUZLMUMZ-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD19978832

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

544.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.483

Distribution Coefficient, logD

6.381

Water Solubility, LogSw

-5.95

Polar Surface Area

54.481

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

V018-9722 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 V018-9722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-9722?
Check Price and Availability of V018-9722, 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 V018-9722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-9722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-9722
  • 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 V018-9722 available by request