8004-4315 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate

8004-4315 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate
8004-4315 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4315
2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate

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

8004-4315

Molecular Formula

C23H15Br3FN3O4 (C23 H15 Br3 FN3 O4)

Compound Name

2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate

IUPAC name

24-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3-fluorobenzoate

SMILES

O=C(CNC(c(cccc1)c1Br)=O)N/N=C/c1cc(Br)cc(Br)c1OC(c1cc(F)ccc1)=O

InChI

InChI=1S/C23H15Br3FN3O4/c24-15-8-14(21(19(26)10-15)34-23(33)13-4-3-5-16(27)9-13)11-29-30-20(31)12-28-22(32)17-6-1-2-7-18(17)25/h1-11H,12H2,(H,28,32)(H,30,31)

InChI Key

YXEGGHGEWFEJLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788083

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

656.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.171

Distribution Coefficient, logD

6.154

Water Solubility, LogSw

-6.08

Polar Surface Area

80.577

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8004-4315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4315?
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What is the minimum amount of 8004-4315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4315
  • 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 8004-4315 available by request