G786-0078 Screening compound: N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine

G786-0078 Screening compound: N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine
G786-0078 Screening compound: N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0078
N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-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

G786-0078

Molecular Formula

C14H25N7O2 (C14 H25 N7 O2)

Compound Name

N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-2,4-diamine

IUPAC name

N2-(butan-2-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine-24-diamine

SMILES

CCC(C)Nc(nc1N)nc(N2CCN(CC)CC2)c1[N+]([O-])=O

InChI

InChI=1S/C14H25N7O2/c1-4-10(3)16-14-17-12(15)11(21(22)23)13(18-14)20-8-6-19(5-2)7-9-20/h10H,4-9H2,1-3H3,(H3,15,16,17,18)/t10-/m0/s1

InChI Key

PEKLNJBSTQUIBP-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04012853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

1.683

Water Solubility, LogSw

-2.43

Polar Surface Area

90.290

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

References: we are preparing a list of scientific research reports with G786-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0078?
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What is the minimum amount of G786-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0078
  • 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 G786-0078 available by request