E882-1316 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

E882-1316 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
E882-1316 Screening compound: 2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E882-1316
2-[3,4-bis(methylsulfamoyl)-1H-pyrrol-1-yl]-N-(6-chloro-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

E882-1316

Molecular Formula

C15H16ClN5O5S3 (C15 H16 ClN5 O5 S3)

Compound Name

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

IUPAC name

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

SMILES

CNS(c1cn(CC(Nc2nc(ccc(Cl)c3)c3s2)=O)cc1S(NC)(=O)=O)(=O)=O

InChI

InChI=1S/C15H16ClN5O5S3/c1-17-28(23,24)12-6-21(7-13(12)29(25,26)18-2)8-14(22)20-15-19-10-4-3-9(16)5-11(10)27-15/h3-7,17-18H,8H2,1-2H3,(H,19,20,22)

InChI Key

RBOUCWSHXMRCIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.593

Distribution Coefficient, logD

1.593

Water Solubility, LogSw

-2.88

Polar Surface Area

119.046

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E882-1316 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E882-1316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E882-1316?
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What is the minimum amount of E882-1316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E882-1316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E882-1316
  • 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 E882-1316 available by request