G964-0335 Screening compound: methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

G964-0335 Screening compound: methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate
G964-0335 Screening compound: methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G964-0335
methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

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

G964-0335

Molecular Formula

C21H31N3O3 (C21 H31 N3 O3)

Compound Name

methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 3-({4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CC1CCN(CC(CC2)CCN2C(Nc2cc(C(OC)=O)ccc2)=O)CC1

InChI

InChI=1S/C21H31N3O3/c1-16-6-10-23(11-7-16)15-17-8-12-24(13-9-17)21(26)22-19-5-3-4-18(14-19)20(25)27-2/h3-5,14,16-17H,6-13,15H2,1-2H3,(H,22,26)

InChI Key

FMBXTKJNTCSPRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15077360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

0.847

Water Solubility, LogSw

-3.98

Polar Surface Area

50.614

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G964-0335 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G964-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G964-0335?
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What is the minimum amount of G964-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G964-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G964-0335
  • 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 G964-0335 available by request