8005-7832 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

8005-7832 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate
8005-7832 Screening compound: 2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7832
2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

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

8005-7832

Molecular Formula

C21H12Br3N3O5 (C21 H12 Br3 N3 O5)

Compound Name

2,4-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

24-dibromo-6-[(E)-{[(5-bromopyridin-3-yl)formamido]imino}methyl]phenyl 2H-13-benzodioxole-5-carboxylate

SMILES

O=C(c1cncc(Br)c1)N/N=C/c1cc(Br)cc(Br)c1OC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H12Br3N3O5/c22-14-3-12(8-26-27-20(28)13-4-15(23)9-25-7-13)19(16(24)6-14)32-21(29)11-1-2-17-18(5-11)31-10-30-17/h1-9H,10H2,(H,27,28)

InChI Key

ZOGSTZGNLMJRNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.06

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.818

Distribution Coefficient, logD

4.154

Water Solubility, LogSw

-5.77

Polar Surface Area

82.828

Acid Dissociation Constant (pKa)

5.75

Base Dissociation Constant (pKb)

0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8005-7832 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 8005-7832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7832?
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What is the minimum amount of 8005-7832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7832
  • 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 8005-7832 available by request