G798-0649 Screening compound: ethyl 4-{[1-cyclopropyl-N-(2-phenylethyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0649 Screening compound: ethyl 4-{[1-cyclopropyl-N-(2-phenylethyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0649 Screening compound: ethyl 4-{[1-cyclopropyl-N-(2-phenylethyl)formamido]methyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0649
ethyl 4-{[1-cyclopropyl-N-(2-phenylethyl)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

G798-0649

Molecular Formula

C22H28N2O3 (C22 H28 N2 O3)

Compound Name

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

IUPAC name

ethyl 4-{[1-cyclopropyl-N-(2-phenylethyl)formamido]methyl}-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(CCc2ccccc2)C(C2CC2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C22H28N2O3/c1-4-27-22(26)20-15(2)19(16(3)23-20)14-24(21(25)18-10-11-18)13-12-17-8-6-5-7-9-17/h5-9,18,23H,4,10-14H2,1-3H3

InChI Key

PSONSXMIKLPVCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.936

Distribution Coefficient, logD

3.936

Water Solubility, LogSw

-3.95

Polar Surface Area

48.415

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with G798-0649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0649?
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What is the minimum amount of G798-0649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0649
  • 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 G798-0649 available by request