3112-5010 Screening compound: ethyl 2-(2,4-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

3112-5010 Screening compound: ethyl 2-(2,4-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate
3112-5010 Screening compound: ethyl 2-(2,4-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3112-5010
ethyl 2-(2,4-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-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

3112-5010

Molecular Formula

C20H23Cl2N3O6S2 (C20 H23 Cl2 N3 O6 S2)

Compound Name

ethyl 2-(2,4-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

IUPAC name

ethyl 2-(24-dichloro-5-sulfamoylbenzamido)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate

SMILES

CCN(CC)C(c1c(C)c(C(OCC)=O)c(NC(c(c(Cl)c2)cc(S(N)(=O)=O)c2Cl)=O)s1)=O

InChI

InChI=1S/C20H23Cl2N3O6S2/c1-5-25(6-2)19(27)16-10(4)15(20(28)31-7-3)18(32-16)24-17(26)11-8-14(33(23,29)30)13(22)9-12(11)21/h8-9H,5-7H2,1-4H3,(H,24,26)(H2,23,29,30)

InChI Key

NNUADRWUHFEBQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01972823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

-2.507

Water Solubility, LogSw

-3.88

Polar Surface Area

110.413

Acid Dissociation Constant (pKa)

1.82

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

3112-5010 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3112-5010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3112-5010?
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What is the minimum amount of 3112-5010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3112-5010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3112-5010
  • 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 3112-5010 available by request