E882-1253 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

E882-1253 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
E882-1253 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1253
2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-1,3-benzothiazol-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

E882-1253

Molecular Formula

C17H21N5O6S3 (C17 H21 N5 O6 S3)

Compound Name

2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-[34-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-ethoxy-13-benzothiazol-2-yl)acetamide

SMILES

CCOc(cc1)cc2c1nc(NC(Cn(cc1S(NC)(=O)=O)cc1S(NC)(=O)=O)=O)s2

InChI

InChI=1S/C17H21N5O6S3/c1-4-28-11-5-6-12-13(7-11)29-17(20-12)21-16(23)10-22-8-14(30(24,25)18-2)15(9-22)31(26,27)19-3/h5-9,18-19H,4,10H2,1-3H3,(H,20,21,23)

InChI Key

MZJFUQMPONLTAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.58

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.416

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-2.53

Polar Surface Area

126.170

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E882-1253 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 E882-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1253?
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What is the minimum amount of E882-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1253
  • 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 E882-1253 available by request