G798-0209 Screening compound: ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0209 Screening compound: ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0209 Screening compound: ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0209
ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-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

G798-0209

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-{[N-cyclohexyl-1-(furan-2-yl)formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(C2CCCCC2)C(c2ccco2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C21H28N2O4/c1-4-26-21(25)19-14(2)17(15(3)22-19)13-23(16-9-6-5-7-10-16)20(24)18-11-8-12-27-18/h8,11-12,16,22H,4-7,9-10,13H2,1-3H3

InChI Key

LSSROMQQYMFXTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.160

Distribution Coefficient, logD

4.160

Water Solubility, LogSw

-3.95

Polar Surface Area

55.736

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

G798-0209 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G798-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0209?
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What is the minimum amount of G798-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0209
  • 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 G798-0209 available by request