G798-0129 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]-1-(thiophen-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

G798-0129 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]-1-(thiophen-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate
G798-0129 Screening compound: ethyl 4-({N-[(4-methoxyphenyl)methyl]-1-(thiophen-2-yl)formamido}methyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G798-0129
ethyl 4-({N-[(4-methoxyphenyl)methyl]-1-(thiophen-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

G798-0129

Molecular Formula

C23H26N2O4S (C23 H26 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc(cc2)ccc2OC)C(c2cccs2)=O)c(C)[nH]1)=O

InChI

InChI=1S/C23H26N2O4S/c1-5-29-23(27)21-15(2)19(16(3)24-21)14-25(22(26)20-7-6-12-30-20)13-17-8-10-18(28-4)11-9-17/h6-12,24H,5,13-14H2,1-4H3

InChI Key

XBJRUJFSZVLLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.353

Distribution Coefficient, logD

4.353

Water Solubility, LogSw

-4.17

Polar Surface Area

56.475

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

G798-0129 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 G798-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G798-0129?
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What is the minimum amount of G798-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G798-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G798-0129
  • 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 G798-0129 available by request