2786-4506 Screening compound: ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

2786-4506 Screening compound: ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate
2786-4506 Screening compound: ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4506
ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-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

2786-4506

Molecular Formula

C23H20ClN3O7S (C23 H20 ClN3 O7 S)

Compound Name

ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(4-chloro-3-nitrobenzamido)-5-[(4-methoxyphenyl)carbamoyl]-4-methylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc([N+]([O-])=O)c2Cl)=O)sc(C(Nc(cc2)ccc2OC)=O)c1C)=O

InChI

InChI=1S/C23H20ClN3O7S/c1-4-34-23(30)18-12(2)19(21(29)25-14-6-8-15(33-3)9-7-14)35-22(18)26-20(28)13-5-10-16(24)17(11-13)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)

InChI Key

ZSBIBPUUTPWVJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01823639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.95

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.447

Distribution Coefficient, logD

-2.031

Water Solubility, LogSw

-4.93

Polar Surface Area

107.593

Acid Dissociation Constant (pKa)

0.92

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with 2786-4506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4506?
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What is the minimum amount of 2786-4506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4506
  • 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 2786-4506 available by request