8005-7285 Screening compound: 2-[(Z)-{[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate

8005-7285 Screening compound: 2-[(Z)-{[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate
8005-7285 Screening compound: 2-[(Z)-{[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7285
2-[(Z)-{[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate

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

8005-7285

Molecular Formula

C31H21BrN4O8 (C31 H21 BrN4 O8)

Compound Name

2-[(Z)-{[(2Z)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate

IUPAC name

2-[(Z)-{[(2Z)-3-(2H-13-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-6-bromo-4-nitrophenyl benzoate

SMILES

[O-][N+](c(cc1/C=N\NC(/C(/NC(c2ccccc2)=O)=C/c(cc2)cc3c2OCO3)=O)cc(Br)c1OC(c1ccccc1)=O)=O

InChI

InChI=1S/C31H21BrN4O8/c32-24-16-23(36(40)41)15-22(28(24)44-31(39)21-9-5-2-6-10-21)17-33-35-30(38)25(34-29(37)20-7-3-1-4-8-20)13-19-11-12-26-27(14-19)43-18-42-26/h1-17H,18H2,(H,34,37)(H,35,38)

InChI Key

LZJATJHPUCKPNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

657.43

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.317

Distribution Coefficient, logD

4.741

Water Solubility, LogSw

-6.05

Polar Surface Area

128.527

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.20

8005-7285 in Drug Discovery

Included in Screening Libraries

?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
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8005-7285 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7285?
Check Price and Availability of 8005-7285, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8005-7285 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7285
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7285
  • 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 8005-7285 available by request