E157-0917 Screening compound: N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide

E157-0917 Screening compound: N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide
E157-0917 Screening compound: N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0917
N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide

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

E157-0917

Molecular Formula

C15H17N5O5S2 (C15 H17 N5 O5 S2)

Compound Name

N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-1,3,4-thiadiazol-2-yl}-3-nitrobenzamide

IUPAC name

N-{5-[(4-methylpiperidin-1-yl)sulfonyl]-134-thiadiazol-2-yl}-3-nitrobenzamide

SMILES

CC(CC1)CCN1S(c1nnc(NC(c2cc([N+]([O-])=O)ccc2)=O)s1)(=O)=O

InChI

InChI=1S/C15H17N5O5S2/c1-10-5-7-19(8-6-10)27(24,25)15-18-17-14(26-15)16-13(21)11-3-2-4-12(9-11)20(22)23/h2-4,9-10H,5-8H2,1H3,(H,16,17,21)

InChI Key

ZDZGCOLIZXJMDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.113

Distribution Coefficient, logD

0.372

Water Solubility, LogSw

-3.53

Polar Surface Area

111.742

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E157-0917 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

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 E157-0917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0917?
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What is the minimum amount of E157-0917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0917
  • 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 E157-0917 available by request