G800-0004 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-fluorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate

G800-0004 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-fluorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate
G800-0004 Screening compound: ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-fluorobenzenesulfonamido}methyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G800-0004
ethyl 3,5-dimethyl-4-({N-[(4-methylphenyl)methyl]4-fluorobenzenesulfonamido}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

G800-0004

Molecular Formula

C24H27FN2O4S (C24 H27 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1c(C)c(CN(Cc2ccc(C)cc2)S(c(cc2)ccc2F)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C24H27FN2O4S/c1-5-31-24(28)23-17(3)22(18(4)26-23)15-27(14-19-8-6-16(2)7-9-19)32(29,30)21-12-10-20(25)11-13-21/h6-13,26H,5,14-15H2,1-4H3

InChI Key

BMAYBKWVHFKVJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27160633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.55

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

5.121

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-4.88

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

29.20

References: we are preparing a list of scientific research reports with G800-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G800-0004?
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What is the minimum amount of G800-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G800-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G800-0004
  • 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 G800-0004 available by request