8004-4332 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

8004-4332 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate
8004-4332 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4332
2,4-dibromo-6-[(E)-({2-[(3,4-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

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

8004-4332

Molecular Formula

C25H20Br2IN3O6 (C25 H20 Br2 IN3 O6)

Compound Name

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

IUPAC name

24-dibromo-6-[(E)-({2-[(34-dimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

SMILES

COc(ccc(C(NCC(N/N=C/c1cc(Br)cc(Br)c1OC(c(cccc1)c1I)=O)=O)=O)c1)c1OC

InChI

InChI=1S/C25H20Br2IN3O6/c1-35-20-8-7-14(10-21(20)36-2)24(33)29-13-22(32)31-30-12-15-9-16(26)11-18(27)23(15)37-25(34)17-5-3-4-6-19(17)28/h3-12H,13H2,1-2H3,(H,29,33)(H,31,32)

InChI Key

BFBGZTCOPKDMQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745763

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

745.16

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.805

Water Solubility, LogSw

-5.56

Polar Surface Area

95.838

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with 8004-4332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4332?
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What is the minimum amount of 8004-4332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4332
  • 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 8004-4332 available by request