G786-0209 Screening compound: N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine

G786-0209 Screening compound: N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine
G786-0209 Screening compound: N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0209
N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-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

G786-0209

Molecular Formula

C15H18ClN7O2 (C15 H18 ClN7 O2)

Compound Name

N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-4,6-diamine

IUPAC name

N4-(3-chlorophenyl)-2-(4-methylpiperazin-1-yl)-5-nitropyrimidine-46-diamine

SMILES

CN(CC1)CCN1c(nc1Nc2cccc(Cl)c2)nc(N)c1[N+]([O-])=O

InChI

InChI=1S/C15H18ClN7O2/c1-21-5-7-22(8-6-21)15-19-13(17)12(23(24)25)14(20-15)18-11-4-2-3-10(16)9-11/h2-4,9H,5-8H2,1H3,(H3,17,18,19,20)

InChI Key

BMPIGHRTISUQKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03491861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.180

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.66

Polar Surface Area

87.694

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

7.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

G786-0209 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with G786-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0209?
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What is the minimum amount of G786-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0209
  • 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 G786-0209 available by request