3772-8332 Screening compound: 2,4-diethyl 5-(2,4-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-2,4-dicarboxylate

3772-8332 Screening compound: 2,4-diethyl 5-(2,4-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-2,4-dicarboxylate
3772-8332 Screening compound: 2,4-diethyl 5-(2,4-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3772-8332
2,4-diethyl 5-(2,4-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-2,4-dicarboxylate

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

3772-8332

Molecular Formula

C18H18Cl2N2O7S2 (C18 H18 Cl2 N2 O7 S2)

Compound Name

2,4-diethyl 5-(2,4-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-(24-dichloro-5-sulfamoylbenzamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(c(Cl)c2)cc(S(N)(=O)=O)c2Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C18H18Cl2N2O7S2/c1-4-28-17(24)13-8(3)14(18(25)29-5-2)30-16(13)22-15(23)9-6-12(31(21,26)27)11(20)7-10(9)19/h6-7H,4-5H2,1-3H3,(H,22,23)(H2,21,26,27)

InChI Key

HVMMRMPXYIXXMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03035999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.396

Distribution Coefficient, logD

-2.597

Water Solubility, LogSw

-4.31

Polar Surface Area

115.234

Acid Dissociation Constant (pKa)

1.41

Base Dissociation Constant (pKb)

-5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3772-8332 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3772-8332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3772-8332?
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What is the minimum amount of 3772-8332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3772-8332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3772-8332
  • 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 3772-8332 available by request