E157-0841 Screening compound: 3-nitro-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide

E157-0841 Screening compound: 3-nitro-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide
E157-0841 Screening compound: 3-nitro-N-[5-(piperidine-1-sulfonyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-0841
3-nitro-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

E157-0841

Molecular Formula

C14H15N5O5S2 (C14 H15 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1cccc(C(Nc(s2)nnc2S(N2CCCCC2)(=O)=O)=O)c1)=O

InChI

InChI=1S/C14H15N5O5S2/c20-12(10-5-4-6-11(9-10)19(21)22)15-13-16-17-14(25-13)26(23,24)18-7-2-1-3-8-18/h4-6,9H,1-3,7-8H2,(H,15,16,20)

InChI Key

CJXGAFOMRIEIIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.44

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

2.639

Distribution Coefficient, logD

-0.102

Water Solubility, LogSw

-3.23

Polar Surface Area

111.742

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

E157-0841 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 E157-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-0841?
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What is the minimum amount of E157-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-0841
  • 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 E157-0841 available by request