G964-0462 Screening compound: 1,4-dimethyl 2-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate

G964-0462 Screening compound: 1,4-dimethyl 2-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate
G964-0462 Screening compound: 1,4-dimethyl 2-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G964-0462
1,4-dimethyl 2-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate

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

G964-0462

Molecular Formula

C24H35N3O5 (C24 H35 N3 O5)

Compound Name

1,4-dimethyl 2-({4-[(3,5-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-1,4-dicarboxylate

IUPAC name

14-dimethyl 2-({4-[(35-dimethylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzene-14-dicarboxylate

SMILES

CC1CN(CC(CC2)CCN2C(Nc(cc(cc2)C(OC)=O)c2C(OC)=O)=O)CC(C)C1

InChI

InChI=1S/C24H35N3O5/c1-16-11-17(2)14-26(13-16)15-18-7-9-27(10-8-18)24(30)25-21-12-19(22(28)31-3)5-6-20(21)23(29)32-4/h5-6,12,16-18H,7-11,13-15H2,1-4H3,(H,25,30)

InChI Key

GTJUSGQZAMSGSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

1.141

Water Solubility, LogSw

-4.20

Polar Surface Area

70.957

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

G964-0462 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G964-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G964-0462?
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What is the minimum amount of G964-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G964-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G964-0462
  • 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 G964-0462 available by request