8005-7570 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2H-1,3-benzodioxole-5-carboxylate

8005-7570 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2H-1,3-benzodioxole-5-carboxylate
8005-7570 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7570
2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 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

8005-7570

Molecular Formula

C32H21Br2N3O8 (C32 H21 Br2 N3 O8)

Compound Name

2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

2-[(E)-{[(2E)-3-(2H-13-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-46-dibromophenyl 2H-13-benzodioxole-5-carboxylate

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C/c1cc(Br)cc(Br)c1OC(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C32H21Br2N3O8/c33-22-12-21(29(23(34)14-22)45-32(40)20-7-9-26-28(13-20)44-17-42-26)15-35-37-31(39)24(36-30(38)19-4-2-1-3-5-19)10-18-6-8-25-27(11-18)43-16-41-25/h1-15H,16-17H2,(H,36,38)(H,37,39)

InChI Key

WAVACAJKJPHJNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

735.34

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.928

Distribution Coefficient, logD

5.352

Water Solubility, LogSw

-6.30

Polar Surface Area

112.261

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8005-7570 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-7570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7570?
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What is the minimum amount of 8005-7570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7570
  • 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 8005-7570 available by request