8003-2328 Screening compound: (3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide

8003-2328 Screening compound: (3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide
8003-2328 Screening compound: (3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-2328
(3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide

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

8003-2328

Molecular Formula

C20H21BrN4O6 (C20 H21 BrN4 O6)

Compound Name

(3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide

IUPAC name

(3E)-3-{[2-(4-bromo-3-methylphenoxy)acetamido]imino}-N-(4-methoxy-2-nitrophenyl)butanamide

SMILES

C/C(/CC(Nc(ccc(OC)c1)c1[N+]([O-])=O)=O)=N\NC(COc(cc1)cc(C)c1Br)=O

InChI

InChI=1S/C20H21BrN4O6/c1-12-8-15(4-6-16(12)21)31-11-20(27)24-23-13(2)9-19(26)22-17-7-5-14(30-3)10-18(17)25(28)29/h4-8,10H,9,11H2,1-3H3,(H,22,26)(H,24,27)

InChI Key

SMPQYWIRGYFUHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00494544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-4.29

Polar Surface Area

105.285

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8003-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-2328?
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What is the minimum amount of 8003-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-2328
  • 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 8003-2328 available by request