8005-0806 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

8005-0806 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate
8005-0806 Screening compound: 2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-0806
2,4-dibromo-6-[(E)-({2-[(2-bromophenyl)formamido]acetamido}imino)methyl]phenyl 3,4,5-trimethoxybenzoate

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

8005-0806

Molecular Formula

C26H22Br3N3O7 (C26 H22 Br3 N3 O7)

Compound Name

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

IUPAC name

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

SMILES

COc1cc(C(Oc(c(/C=N/NC(CNC(c(cccc2)c2Br)=O)=O)cc(Br)c2)c2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C26H22Br3N3O7/c1-36-20-9-14(10-21(37-2)24(20)38-3)26(35)39-23-15(8-16(27)11-19(23)29)12-31-32-22(33)13-30-25(34)17-6-4-5-7-18(17)28/h4-12H,13H2,1-3H3,(H,30,34)(H,32,33)

InChI Key

FQQCZKKXWLNQCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00740827

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

728.19

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

5.600

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.54

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 8005-0806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-0806?
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What is the minimum amount of 8005-0806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-0806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-0806
  • 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 8005-0806 available by request