5991-0182 Screening compound: ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(2,4-dichlorobenzamido)-4-methylthiophene-3-carboxylate

5991-0182 Screening compound: ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(2,4-dichlorobenzamido)-4-methylthiophene-3-carboxylate
5991-0182 Screening compound: ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(2,4-dichlorobenzamido)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5991-0182
ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(2,4-dichlorobenzamido)-4-methylthiophene-3-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

5991-0182

Molecular Formula

C23H19Cl3N2O4S (C23 H19 Cl3 N2 O4 S)

Compound Name

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(2,4-dichlorobenzamido)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 5-[(3-chloro-4-methylphenyl)carbamoyl]-2-(24-dichlorobenzamido)-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(ccc(Cl)c2)c2Cl)=O)sc(C(Nc2cc(Cl)c(C)cc2)=O)c1C)=O

InChI

InChI=1S/C23H19Cl3N2O4S/c1-4-32-23(31)18-12(3)19(21(30)27-14-7-5-11(2)16(25)10-14)33-22(18)28-20(29)15-8-6-13(24)9-17(15)26/h5-10H,4H2,1-3H3,(H,27,30)(H,28,29)

InChI Key

DPPNATSGHUBIOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

525.84

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.815

Distribution Coefficient, logD

0.535

Water Solubility, LogSw

-6.65

Polar Surface Area

66.969

Acid Dissociation Constant (pKa)

1.12

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 5991-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5991-0182?
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What is the minimum amount of 5991-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5991-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5991-0182
  • 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 5991-0182 available by request