8003-6856 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate

8003-6856 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate
8003-6856 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6856
2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]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

8003-6856

Molecular Formula

C23H18Br3N3O6 (C23 H18 Br3 N3 O6)

Compound Name

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

IUPAC name

24-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 345-trimethoxybenzoate

SMILES

COc1cc(C(Oc(c(/C=N/NC(c2cncc(Br)c2)=O)cc(Br)c2)c2Br)=O)cc(OC)c1OC

InChI

InChI=1S/C23H18Br3N3O6/c1-32-18-6-12(7-19(33-2)21(18)34-3)23(31)35-20-13(4-15(24)8-17(20)26)10-28-29-22(30)14-5-16(25)11-27-9-14/h4-11H,1-3H3,(H,29,30)

InChI Key

DSMROLPLZUWJLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

672.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

3.783

Water Solubility, LogSw

-5.34

Polar Surface Area

88.691

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8003-6856 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-6856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6856?
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What is the minimum amount of 8003-6856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6856
  • 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 8003-6856 available by request