G786-0104 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

G786-0104 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine
G786-0104 Screening compound: 2-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0104
2-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-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

G786-0104

Molecular Formula

C22H31N7O2 (C22 H31 N7 O2)

Compound Name

2-(4-benzylpiperazin-1-yl)-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

IUPAC name

2-(4-benzylpiperazin-1-yl)-6-(35-dimethylpiperidin-1-yl)-5-nitropyrimidin-4-amine

SMILES

CC(CC(C)C1)CN1c(nc(N1CCN(Cc2ccccc2)CC1)nc1N)c1[N+]([O-])=O

InChI

InChI=1S/C22H31N7O2/c1-16-12-17(2)14-28(13-16)21-19(29(30)31)20(23)24-22(25-21)27-10-8-26(9-11-27)15-18-6-4-3-5-7-18/h3-7,16-17H,8-15H2,1-2H3,(H2,23,24,25)

InChI Key

BJMIJVCIZPEMOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04189508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.154

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.31

Polar Surface Area

81.458

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

6.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with G786-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0104?
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What is the minimum amount of G786-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0104
  • 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 G786-0104 available by request