8004-4571 Screening compound: 2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

8004-4571 Screening compound: 2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate
8004-4571 Screening compound: 2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4571
2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

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

8004-4571

Molecular Formula

C21H16BrN3O4 (C21 H16 BrN3 O4)

Compound Name

2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

IUPAC name

2-methoxy-4-[(E)-{[(pyridin-3-yl)formamido]imino}methyl]phenyl 2-bromobenzoate

SMILES

COc(cc(/C=N/NC(c1cnccc1)=O)cc1)c1OC(c(cccc1)c1Br)=O

InChI

InChI=1S/C21H16BrN3O4/c1-28-19-11-14(12-24-25-20(26)15-5-4-10-23-13-15)8-9-18(19)29-21(27)16-6-2-3-7-17(16)22/h2-13H,1H3,(H,25,26)

InChI Key

FREQYVOVVGMUFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.515

Distribution Coefficient, logD

3.506

Water Solubility, LogSw

-3.69

Polar Surface Area

73.167

Acid Dissociation Constant (pKa)

9.07

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8004-4571 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8004-4571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4571?
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What is the minimum amount of 8004-4571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4571
  • 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 8004-4571 available by request