8005-7841 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3-methylbenzoate

8005-7841 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3-methylbenzoate
8005-7841 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7841
2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 3-methylbenzoate

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

8005-7841

Molecular Formula

C21H14Br3N3O3 (C21 H14 Br3 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(Oc(c(/C=N/NC(c2cncc(Br)c2)=O)cc(Br)c2)c2Br)=O)c1

InChI

InChI=1S/C21H14Br3N3O3/c1-12-3-2-4-13(5-12)21(29)30-19-14(6-16(22)8-18(19)24)10-26-27-20(28)15-7-17(23)11-25-9-15/h2-11H,1H3,(H,27,28)

InChI Key

NPQWSUXINSUQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.07

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.267

Distribution Coefficient, logD

4.603

Water Solubility, LogSw

-5.34

Polar Surface Area

65.713

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with 8005-7841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7841?
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What is the minimum amount of 8005-7841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7841
  • 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 8005-7841 available by request