F378-0091 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

F378-0091 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate
F378-0091 Screening compound: ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F378-0091
ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-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

F378-0091

Molecular Formula

C16H19ClN2O4S (C16 H19 ClN2 O4 S)

Compound Name

ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-[(3-chloro-4-methylphenyl)sulfamoyl]-35-dimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(S(Nc2cc(Cl)c(C)cc2)(=O)=O)c(C)[nH]1)=O

InChI

InChI=1S/C16H19ClN2O4S/c1-5-23-16(20)14-10(3)15(11(4)18-14)24(21,22)19-12-7-6-9(2)13(17)8-12/h6-8,18-19H,5H2,1-4H3

InChI Key

CDYVBOSBJRSYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27120961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-4.24

Polar Surface Area

72.623

Acid Dissociation Constant (pKa)

6.56

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

F378-0091 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with F378-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F378-0091?
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What is the minimum amount of F378-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F378-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F378-0091
  • 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 F378-0091 available by request