G414-1322 Screening compound: N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

G414-1322 Screening compound: N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
G414-1322 Screening compound: N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G414-1322
N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

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

G414-1322

Molecular Formula

C16H17ClN6 (C16 H17 ClN6)

Compound Name

N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine

IUPAC name

N4-[(3-chlorophenyl)methyl]-1-methyl-N6-(prop-2-en-1-yl)-1H-pyrazolo[34-d]pyrimidine-46-diamine

SMILES

Cn1ncc2c1nc(NCC=C)nc2NCc1cccc(Cl)c1

InChI

InChI=1S/C16H17ClN6/c1-3-7-18-16-21-14(13-10-20-23(2)15(13)22-16)19-9-11-5-4-6-12(17)8-11/h3-6,8,10H,1,7,9H2,2H3,(H2,18,19,21,22)

InChI Key

CPLBSPWJCWMANA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27140104

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

328.8

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-3.58

Polar Surface Area

56.014

Acid Dissociation Constant (pKa)

15.83

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

G414-1322 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G414-1322 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G414-1322?
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What is the minimum amount of G414-1322 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G414-1322
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G414-1322
  • 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 G414-1322 available by request