8003-9118 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

8003-9118 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
8003-9118 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-9118
N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

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

8003-9118

Molecular Formula

C24H20BrN5O6S (C24 H20 BrN5 O6 S)

Compound Name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

IUPAC name

N-[2-(benzylsulfanyl)-1-{N'-[(E)-(4-bromophenyl)methylidene]hydrazinecarbonyl}ethyl]-35-dinitrobenzamide

SMILES

[O-][N+](c1cc(C(NC(CSCc2ccccc2)C(N/N=C/c(cc2)ccc2Br)=O)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C24H20BrN5O6S/c25-19-8-6-16(7-9-19)13-26-28-24(32)22(15-37-14-17-4-2-1-3-5-17)27-23(31)18-10-20(29(33)34)12-21(11-18)30(35)36/h1-13,22H,14-15H2,(H,27,31)(H,28,32)/t22-/m0/s1

InChI Key

UBYBMJYYCDPZNJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00472342

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.42

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.08

Polar Surface Area

126.361

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 8003-9118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-9118?
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What is the minimum amount of 8003-9118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-9118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-9118
  • 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 8003-9118 available by request