8003-6849 Screening compound: 4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 2-iodobenzoate

8003-6849 Screening compound: 4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 2-iodobenzoate
8003-6849 Screening compound: 4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 2-iodobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6849
4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 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

8003-6849

Molecular Formula

C28H20IN3O4S (C28 H20 IN3 O4 S)

Compound Name

4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 2-iodobenzoate

IUPAC name

4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 2-iodobenzoate

SMILES

O=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C/c(cc1)ccc1OC(c(cccc1)c1I)=O

InChI

InChI=1S/C28H20IN3O4S/c29-24-11-5-4-10-23(24)28(35)36-21-14-12-19(13-15-21)18-30-32-27(34)25(17-22-9-6-16-37-22)31-26(33)20-7-2-1-3-8-20/h1-18H,(H,31,33)(H,32,34)

InChI Key

FLJRGPHUNCLEDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00744713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

621.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.482

Distribution Coefficient, logD

4.632

Water Solubility, LogSw

-5.85

Polar Surface Area

78.875

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-6849 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8003-6849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6849?
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What is the minimum amount of 8003-6849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6849
  • 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 8003-6849 available by request