G800-0025 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2,5-dimethylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

G800-0025 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2,5-dimethylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate
G800-0025 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2,5-dimethylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0025
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]2,5-dimethylbenzenesulfonamido}methyl)-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

G800-0025

Molecular Formula

C26H32N2O4S (C26 H32 N2 O4 S)

Compound Name

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

IUPAC name

ethyl 35-dimethyl-4-({N-[(4-methylphenyl)methyl]25-dimethylbenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c2c(C)ccc(C)c2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C26H32N2O4S/c1-7-32-26(29)25-20(5)23(21(6)27-25)16-28(15-22-12-9-17(2)10-13-22)33(30,31)24-14-18(3)8-11-19(24)4/h8-14,27H,7,15-16H2,1-6H3

InChI Key

ILJHFFLHVBQEHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.62

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.852

Distribution Coefficient, logD

5.852

Water Solubility, LogSw

-5.32

Polar Surface Area

63.077

Acid Dissociation Constant (pKa)

16.11

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

References: we are preparing a list of scientific research reports with G800-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0025?
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What is the minimum amount of G800-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0025
  • 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 G800-0025 available by request