V004-9956 Screening compound: N-(butan-2-yl)-1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

V004-9956 Screening compound: N-(butan-2-yl)-1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
V004-9956 Screening compound: N-(butan-2-yl)-1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9956
N-(butan-2-yl)-1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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

V004-9956

Molecular Formula

C17H20ClN5 (C17 H20 ClN5)

Compound Name

N-(butan-2-yl)-1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine

IUPAC name

n/a

SMILES

CCC(C)Nc1c(cnn2-c(cccc3)c3Cl)c2nc(CC)n1

InChI

InChI=1S/C17H20ClN5/c1-4-11(3)20-16-12-10-19-23(14-9-7-6-8-13(14)18)17(12)22-15(5-2)21-16/h6-11H,4-5H2,1-3H3,(H,20,21,22)/t11-/m0/s1

InChI Key

XKFFKKNPRVFCQI-NSHDSACASA-N

MDL Number (MFCD)

MFCD14251981

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.45

Polar Surface Area

44.513

Acid Dissociation Constant (pKa)

18.24

Base Dissociation Constant (pKb)

5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

V004-9956 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V004-9956 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9956?
Check Price and Availability of V004-9956, 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 V004-9956 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9956
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9956
  • 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 V004-9956 available by request