V031-1708 Screening compound: N-[1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclopropylmethylamine

V031-1708 Screening compound: N-[1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclopropylmethylamine
V031-1708 Screening compound: N-[1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclopropylmethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound V031-1708
N-[1-(2-chlorophenyl)-6-ethyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-N-cyclopropylmethylamine

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

V031-1708

Molecular Formula

C17H18ClN5 (C17 H18 ClN5)

Compound Name

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

IUPAC name

1-(2-chlorophenyl)-N-(cyclopropylmethyl)-6-ethyl-1H-pyrazolo[34-d]pyrimidin-4-amine

SMILES

CCc1nc(NCC2CC2)c(cnn2-c(cccc3)c3Cl)c2n1

InChI

InChI=1S/C17H18ClN5/c1-2-15-21-16(19-9-11-7-8-11)12-10-20-23(17(12)22-15)14-6-4-3-5-13(14)18/h3-6,10-11H,2,7-9H2,1H3,(H,19,21,22)

InChI Key

WNEWMWHIWMMPLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14251985

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

327.82

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

4.399

Distribution Coefficient, logD

4.383

Water Solubility, LogSw

-4.36

Polar Surface Area

45.324

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

V031-1708 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V031-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1708?
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What is the minimum amount of V031-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1708
  • 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 V031-1708 available by request