G793-0005 Screening compound: ethyl 4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

G793-0005 Screening compound: ethyl 4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
G793-0005 Screening compound: ethyl 4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0005
ethyl 4-[3-(2,3-dihydro-1H-indol-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

G793-0005

Molecular Formula

C20H24N2O3 (C20 H24 N2 O3)

Compound Name

ethyl 4-[3-(2,3-dihydro-1H-indol-1-yl)-3-oxopropyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[3-(23-dihydro-1H-indol-1-yl)-3-oxopropyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(N(CC2)c3c2cccc3)=O)c(C)[nH]1)=O

InChI

InChI=1S/C20H24N2O3/c1-4-25-20(24)19-13(2)16(14(3)21-19)9-10-18(23)22-12-11-15-7-5-6-8-17(15)22/h5-8,21H,4,9-12H2,1-3H3

InChI Key

FUCJZEXIDNRLRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27158856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.42

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

3.649

Distribution Coefficient, logD

3.649

Water Solubility, LogSw

-3.75

Polar Surface Area

47.125

Acid Dissociation Constant (pKa)

15.37

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

G793-0005 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G793-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0005?
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What is the minimum amount of G793-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0005
  • 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 G793-0005 available by request