E157-7834 Screening compound: N-{5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

E157-7834 Screening compound: N-{5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
E157-7834 Screening compound: N-{5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-7834
N-{5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

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

E157-7834

Molecular Formula

C20H17N5O5S2 (C20 H17 N5 O5 S2)

Compound Name

N-{5-[benzyl(methyl)sulfamoyl]-1,3,4-thiadiazol-2-yl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

IUPAC name

N-{5-[benzyl(methyl)sulfamoyl]-134-thiadiazol-2-yl}-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamide

SMILES

CN(Cc1ccccc1)S(c1nnc(NC(CN(C(c2c3cccc2)=O)C3=O)=O)s1)(=O)=O

InChI

InChI=1S/C20H17N5O5S2/c1-24(11-13-7-3-2-4-8-13)32(29,30)20-23-22-19(31-20)21-16(26)12-25-17(27)14-9-5-6-10-15(14)18(25)28/h2-10H,11-12H2,1H3,(H,21,22,26)

InChI Key

RKRISPGGSGIAJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14844369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.417

Water Solubility, LogSw

-3.45

Polar Surface Area

108.525

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E157-7834 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E157-7834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-7834?
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What is the minimum amount of E157-7834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-7834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-7834
  • 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 E157-7834 available by request