8014-0464 Screening compound: N-(5-{4-[(2-chloro-5-nitrophenyl)sulfonyl]piperazino}-2-nitrophenyl)-N-(2-furylmethyl)amine

8014-0464 Screening compound: N-(5-{4-[(2-chloro-5-nitrophenyl)sulfonyl]piperazino}-2-nitrophenyl)-N-(2-furylmethyl)amine
8014-0464 Screening compound: N-(5-{4-[(2-chloro-5-nitrophenyl)sulfonyl]piperazino}-2-nitrophenyl)-N-(2-furylmethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0464
N-(5-{4-[(2-chloro-5-nitrophenyl)sulfonyl]piperazino}-2-nitrophenyl)-N-(2-furylmethyl)amine

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

8014-0464

Molecular Formula

C21H20ClN5O7S (C21 H20 ClN5 O7 S)

Compound Name

N-(5-{4-[(2-chloro-5-nitrophenyl)sulfonyl]piperazino}-2-nitrophenyl)-N-(2-furylmethyl)amine

IUPAC name

5-[4-(2-chloro-5-nitrobenzenesulfonyl)piperazin-1-yl]-N-[(furan-2-yl)methyl]-2-nitroaniline

SMILES

[O-][N+](c(cc1)cc(S(N(CC2)CCN2c(cc2)cc(NCc3ccco3)c2[N+]([O-])=O)(=O)=O)c1Cl)=O

InChI

InChI=1S/C21H20ClN5O7S/c22-18-5-3-16(26(28)29)13-21(18)35(32,33)25-9-7-24(8-10-25)15-4-6-20(27(30)31)19(12-15)23-14-17-2-1-11-34-17/h1-6,11-13,23H,7-10,14H2

InChI Key

YKQACVCFKUHMBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03227219

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.94

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.166

Distribution Coefficient, logD

4.166

Water Solubility, LogSw

-4.41

Polar Surface Area

118.957

Acid Dissociation Constant (pKa)

15.44

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

8014-0464 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-0464?
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What is the minimum amount of 8014-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0464
  • 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 8014-0464 available by request