E157-0846 Screening compound: 3-bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide

E157-0846 Screening compound: 3-bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide
E157-0846 Screening compound: 3-bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0846
3-bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide

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

E157-0846

Molecular Formula

C14H15BrN4O3S2 (C14 H15 BrN4 O3 S2)

Compound Name

3-bromo-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

3-bromo-N-[5-(piperidine-1-sulfonyl)-134-thiadiazol-2-yl]benzamide

SMILES

O=C(c1cccc(Br)c1)Nc(s1)nnc1S(N1CCCCC1)(=O)=O

InChI

InChI=1S/C14H15BrN4O3S2/c15-11-6-4-5-10(9-11)12(20)16-13-17-18-14(23-13)24(21,22)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8H2,(H,16,17,20)

InChI Key

JCOQBTBWSPWIDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

1.040

Water Solubility, LogSw

-3.75

Polar Surface Area

78.360

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E157-0846 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E157-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0846?
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What is the minimum amount of E157-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0846
  • 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 E157-0846 available by request