8005-7666 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2-iodobenzoate

8005-7666 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2-iodobenzoate
8005-7666 Screening compound: 2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-7666
2-[(E)-{[(2E)-3-(2H-1,3-benzodioxol-5-yl)-2-(phenylformamido)prop-2-enamido]imino}methyl]-4,6-dibromophenyl 2-iodobenzoate

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

8005-7666

Molecular Formula

C31H20Br2IN3O6 (C31 H20 Br2 IN3 O6)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c(cc1)cc2c1OCO2)N/N=C/c1cc(Br)cc(Br)c1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C31H20Br2IN3O6/c32-21-14-20(28(23(33)15-21)43-31(40)22-8-4-5-9-24(22)34)16-35-37-30(39)25(36-29(38)19-6-2-1-3-7-19)12-18-10-11-26-27(13-18)42-17-41-26/h1-16H,17H2,(H,36,38)(H,37,39)

InChI Key

NKQJYOYMHCFIKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

817.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.762

Distribution Coefficient, logD

6.186

Water Solubility, LogSw

-6.24

Polar Surface Area

95.145

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.20

8005-7666 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-7666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-7666?
Check Price and Availability of 8005-7666, 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 8005-7666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-7666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-7666
  • 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 8005-7666 available by request