8002-5193 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate

8002-5193 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate
8002-5193 Screening compound: 4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-5193
4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-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

8002-5193

Molecular Formula

C31H28N4O6 (C31 H28 N4 O6)

Compound Name

4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate

IUPAC name

4-[(E)-{[(2E)-3-[4-(dimethylamino)phenyl]-2-(phenylformamido)prop-2-enamido]imino}methyl]-2-methoxyphenyl furan-2-carboxylate

SMILES

CN(C)c1ccc(/C=C(\C(N/N=C/c(cc2)cc(OC)c2OC(c2ccco2)=O)=O)/NC(c2ccccc2)=O)cc1

InChI

InChI=1S/C31H28N4O6/c1-35(2)24-14-11-21(12-15-24)18-25(33-29(36)23-8-5-4-6-9-23)30(37)34-32-20-22-13-16-26(28(19-22)39-3)41-31(38)27-10-7-17-40-27/h4-20H,1-3H3,(H,33,36)(H,34,37)

InChI Key

SYXRWLATQDRUBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-4.53

Polar Surface Area

96.957

Acid Dissociation Constant (pKa)

5.53

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

8002-5193 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 8002-5193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-5193?
Check Price and Availability of 8002-5193, 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 8002-5193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-5193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-5193
  • 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 8002-5193 available by request