8002-4181 Screening compound: 4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-bromobenzoate

8002-4181 Screening compound: 4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-bromobenzoate
8002-4181 Screening compound: 4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4181
4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-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

8002-4181

Molecular Formula

C24H19BrFN3O5 (C24 H19 BrFN3 O5)

Compound Name

4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-bromobenzoate

IUPAC name

4-[(E)-({2-[(3-fluorophenyl)formamido]acetamido}imino)methyl]-2-methoxyphenyl 3-bromobenzoate

SMILES

COc(cc(/C=N/NC(CNC(c1cc(F)ccc1)=O)=O)cc1)c1OC(c1cccc(Br)c1)=O

InChI

InChI=1S/C24H19BrFN3O5/c1-33-21-10-15(8-9-20(21)34-24(32)17-5-2-6-18(25)11-17)13-28-29-22(30)14-27-23(31)16-4-3-7-19(26)12-16/h2-13H,14H2,1H3,(H,27,31)(H,29,30)

InChI Key

YYPKYBGLNSXBTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.504

Distribution Coefficient, logD

4.504

Water Solubility, LogSw

-4.54

Polar Surface Area

88.121

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8002-4181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4181?
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What is the minimum amount of 8002-4181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4181
  • 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 8002-4181 available by request