4223-6983 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate

4223-6983 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate
4223-6983 Screening compound: ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4223-6983
ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-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

4223-6983

Molecular Formula

C23H20ClN3O6S (C23 H20 ClN3 O6 S)

Compound Name

ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate

IUPAC name

ethyl 5-[(3-chloro-2-methylphenyl)carbamoyl]-4-methyl-2-(3-nitrobenzamido)thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2cc([N+]([O-])=O)ccc2)=O)sc(C(Nc2cccc(Cl)c2C)=O)c1C)=O

InChI

InChI=1S/C23H20ClN3O6S/c1-4-33-23(30)18-13(3)19(21(29)25-17-10-6-9-16(24)12(17)2)34-22(18)26-20(28)14-7-5-8-15(11-14)27(31)32/h5-11H,4H2,1-3H3,(H,25,29)(H,26,28)

InChI Key

UXWSEEFHDBSFKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.95

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.201

Distribution Coefficient, logD

-0.338

Water Solubility, LogSw

-5.89

Polar Surface Area

99.653

Acid Dissociation Constant (pKa)

1.86

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

4223-6983 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 4223-6983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4223-6983?
Check Price and Availability of 4223-6983, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4223-6983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4223-6983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4223-6983
  • 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 4223-6983 available by request