G793-0480 Screening compound: ethyl 4-{3-[4-({2-[cyclohexyl(methyl)amino]ethyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0480 Screening compound: ethyl 4-{3-[4-({2-[cyclohexyl(methyl)amino]ethyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0480 Screening compound: ethyl 4-{3-[4-({2-[cyclohexyl(methyl)amino]ethyl}carbamoyl)piperidin-1-yl]-3-oxopropyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0480
ethyl 4-{3-[4-({2-[cyclohexyl(methyl)amino]ethyl}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

G793-0480

Molecular Formula

C27H44N4O4 (C27 H44 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CCC(N(CC2)CCC2C(NCCN(C)C2CCCCC2)=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C27H44N4O4/c1-5-35-27(34)25-19(2)23(20(3)29-25)11-12-24(32)31-16-13-21(14-17-31)26(33)28-15-18-30(4)22-9-7-6-8-10-22/h21-22,29H,5-18H2,1-4H3,(H,28,33)

InChI Key

YNDLMYFMMDWQGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27159067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

0.985

Water Solubility, LogSw

-2.72

Polar Surface Area

75.387

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

74.10

G793-0480 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Eccentric PPI Library (11937 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with G793-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0480?
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What is the minimum amount of G793-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0480
  • 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 G793-0480 available by request