E157-1718 Screening compound: N-(5-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide

E157-1718 Screening compound: N-(5-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide
E157-1718 Screening compound: N-(5-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E157-1718
N-(5-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl}-1,3,4-thiadiazol-2-yl)-3-methylbutanamide

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

E157-1718

Molecular Formula

C17H21ClN6O5S2 (C17 H21 ClN6 O5 S2)

Compound Name

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

IUPAC name

N-(5-{[4-(2-chloro-4-nitrophenyl)piperazin-1-yl]sulfonyl}-134-thiadiazol-2-yl)-3-methylbutanamide

SMILES

CC(C)CC(Nc(s1)nnc1S(N(CC1)CCN1c(ccc([N+]([O-])=O)c1)c1Cl)(=O)=O)=O

InChI

InChI=1S/C17H21ClN6O5S2/c1-11(2)9-15(25)19-16-20-21-17(30-16)31(28,29)23-7-5-22(6-8-23)14-4-3-12(24(26)27)10-13(14)18/h3-4,10-11H,5-9H2,1-2H3,(H,19,20,25)

InChI Key

HBWLKPSZPGMSFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14843566

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

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-4.32

Polar Surface Area

114.759

Acid Dissociation Constant (pKa)

6.92

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with E157-1718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E157-1718?
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What is the minimum amount of E157-1718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E157-1718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E157-1718
  • 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 E157-1718 available by request