8004-4333 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

8004-4333 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate
8004-4333 Screening compound: 2,4-dibromo-6-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4333
2,4-dibromo-6-[(E)-({2-[(3,4,5-trimethoxyphenyl)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

8004-4333

Molecular Formula

C26H22Br2IN3O7 (C26 H22 Br2 IN3 O7)

Compound Name

2,4-dibromo-6-[(E)-({2-[(3,4,5-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

IUPAC name

24-dibromo-6-[(E)-({2-[(345-trimethoxyphenyl)formamido]acetamido}imino)methyl]phenyl 2-iodobenzoate

SMILES

COc1cc(C(NCC(N/N=C/c2cc(Br)cc(Br)c2OC(c(cccc2)c2I)=O)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C26H22Br2IN3O7/c1-36-20-9-14(10-21(37-2)24(20)38-3)25(34)30-13-22(33)32-31-12-15-8-16(27)11-18(28)23(15)39-26(35)17-6-4-5-7-19(17)29/h4-12H,13H2,1-3H3,(H,30,34)(H,32,33)

InChI Key

XBUHSNBYNKXIJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

775.19

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.978

Distribution Coefficient, logD

5.962

Water Solubility, LogSw

-5.60

Polar Surface Area

103.555

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8004-4333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4333?
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What is the minimum amount of 8004-4333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4333
  • 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 8004-4333 available by request