E157-1793 Screening compound: N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)pentanamide

E157-1793 Screening compound: N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)pentanamide
E157-1793 Screening compound: N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-1793
N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)pentanamide

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

E157-1793

Molecular Formula

C17H21ClN6O5S2 (C17 H21 ClN6 O5 S2)

Compound Name

N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)pentanamide

IUPAC name

N-(5-{[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]sulfonyl}-134-thiadiazol-2-yl)pentanamide

SMILES

CCCCC(Nc(s1)nnc1S(N(CC1)CCN1c(ccc(Cl)c1)c1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C17H21ClN6O5S2/c1-2-3-4-15(25)19-16-20-21-17(30-16)31(28,29)23-9-7-22(8-10-23)13-6-5-12(18)11-14(13)24(26)27/h5-6,11H,2-4,7-10H2,1H3,(H,19,20,25)

InChI Key

GKDLMOVBKHBGMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.98

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-3.95

Polar Surface Area

114.459

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

E157-1793 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 E157-1793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-1793?
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What is the minimum amount of E157-1793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-1793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-1793
  • 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 E157-1793 available by request