8003-8687 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide

8003-8687 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide
8003-8687 Screening compound: N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(propan-2-yloxy)phenyl]methylidene]hydrazinecarbonyl}ethyl]-3,5-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-8687
N-[2-(benzylsulfanyl)-1-{N'-[(E)-[4-(propan-2-yloxy)phenyl]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

8003-8687

Molecular Formula

C27H27N5O7S (C27 H27 N5 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc1ccc(/C=N/NC(C(CSCc2ccccc2)NC(c2cc([N+]([O-])=O)cc([N+]([O-])=O)c2)=O)=O)cc1

InChI

InChI=1S/C27H27N5O7S/c1-18(2)39-24-10-8-19(9-11-24)15-28-30-27(34)25(17-40-16-20-6-4-3-5-7-20)29-26(33)21-12-22(31(35)36)14-23(13-21)32(37)38/h3-15,18,25H,16-17H2,1-2H3,(H,29,33)(H,30,34)/t25-/m0/s1

InChI Key

LBZIPALEJZFYJB-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00470562

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.61

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.907

Distribution Coefficient, logD

4.906

Water Solubility, LogSw

-4.62

Polar Surface Area

133.164

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8003-8687 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8003-8687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-8687?
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What is the minimum amount of 8003-8687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-8687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-8687
  • 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 8003-8687 available by request