G793-0659 Screening compound: ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0659 Screening compound: ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0659 Screening compound: ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0659
ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

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

G793-0659

Molecular Formula

C27H38N4O4 (C27 H38 N4 O4)

Compound Name

ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{3-[3-({[4-(dimethylamino)phenyl]methyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(N(CCC2)CC2C(NCc(cc2)ccc2N(C)C)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C27H38N4O4/c1-6-35-27(34)25-18(2)23(19(3)29-25)13-14-24(32)31-15-7-8-21(17-31)26(33)28-16-20-9-11-22(12-10-20)30(4)5/h9-12,21,29H,6-8,13-17H2,1-5H3,(H,28,33)/t21-/m0/s1

InChI Key

XNXLJIUHXMJJQJ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD27159135

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.773

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-2.99

Polar Surface Area

75.246

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

G793-0659 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G793-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0659?
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What is the minimum amount of G793-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0659
  • 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 G793-0659 available by request