8002-9262 Screening compound: 2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide

8002-9262 Screening compound: 2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide
8002-9262 Screening compound: 2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9262
2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide

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

8002-9262

Molecular Formula

C22H27BrN4O4 (C22 H27 BrN4 O4)

Compound Name

2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide

IUPAC name

2-(2-bromo-4-methylphenoxy)-N'-[(E)-{2-[butyl(ethyl)amino]-5-nitrophenyl}methylidene]acetohydrazide

SMILES

CCCCN(CC)c(cc1)c(/C=N/NC(COc(ccc(C)c2)c2Br)=O)cc1[N+]([O-])=O

InChI

InChI=1S/C22H27BrN4O4/c1-4-6-11-26(5-2)20-9-8-18(27(29)30)13-17(20)14-24-25-22(28)15-31-21-10-7-16(3)12-19(21)23/h7-10,12-14H,4-6,11,15H2,1-3H3,(H,25,28)

InChI Key

OAIKAQCKKDLAJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00333078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.864

Distribution Coefficient, logD

5.864

Water Solubility, LogSw

-5.43

Polar Surface Area

78.997

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with 8002-9262 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9262?
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What is the minimum amount of 8002-9262 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9262
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9262
  • 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 8002-9262 available by request