G792-1513 Screening compound: 1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide

G792-1513 Screening compound: 1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide
G792-1513 Screening compound: 1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G792-1513
1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide

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

G792-1513

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide

IUPAC name

1-(3-methylbenzoyl)-N-{4-[(pyrrolidin-1-yl)methyl]phenyl}piperidine-3-carboxamide

SMILES

Cc1cccc(C(N(CCC2)CC2C(Nc2ccc(CN3CCCC3)cc2)=O)=O)c1

InChI

InChI=1S/C25H31N3O2/c1-19-6-4-7-21(16-19)25(30)28-15-5-8-22(18-28)24(29)26-23-11-9-20(10-12-23)17-27-13-2-3-14-27/h4,6-7,9-12,16,22H,2-3,5,8,13-15,17-18H2,1H3,(H,26,29)/t22-/m0/s1

InChI Key

ZQWLQHYDZJRHQZ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27158678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

0.852

Water Solubility, LogSw

-3.14

Polar Surface Area

44.010

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

9.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

G792-1513 in Drug Discovery

Included in Screening Libraries

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

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

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Cyclic compounds
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Targets:
  • Others

References: we are preparing a list of scientific research reports with G792-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G792-1513?
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What is the minimum amount of G792-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G792-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G792-1513
  • 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 G792-1513 available by request