2742-2993 Screening compound: methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

2742-2993 Screening compound: methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate
2742-2993 Screening compound: methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2742-2993
methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

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

2742-2993

Molecular Formula

C21H22N4O6S2 (C21 H22 N4 O6 S2)

Compound Name

methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

IUPAC name

methyl 4-(2-{1-methyl-5-oxo-3-[(4-sulfamoylphenyl)methyl]-2-sulfanylideneimidazolidin-4-yl}acetamido)benzoate

SMILES

CN(C(C(CC(Nc(cc1)ccc1C(OC)=O)=O)N1Cc(cc2)ccc2S(N)(=O)=O)=O)C1=S

InChI

InChI=1S/C21H22N4O6S2/c1-24-19(27)17(11-18(26)23-15-7-5-14(6-8-15)20(28)31-2)25(21(24)32)12-13-3-9-16(10-4-13)33(22,29)30/h3-10,17H,11-12H2,1-2H3,(H,23,26)(H2,22,29,30)/t17-/m0/s1

InChI Key

FNTOWJRNPABEEB-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.635

Distribution Coefficient, logD

0.634

Water Solubility, LogSw

-2.30

Polar Surface Area

113.823

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2742-2993 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 2742-2993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2742-2993?
Check Price and Availability of 2742-2993, 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 2742-2993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2742-2993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2742-2993
  • 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 2742-2993 available by request