8004-1338 Screening compound: 2-ethoxy-4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate

8004-1338 Screening compound: 2-ethoxy-4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate
8004-1338 Screening compound: 2-ethoxy-4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1338
2-ethoxy-4-[(E)-{[(2E)-2-(phenylformamido)-3-(thiophen-2-yl)prop-2-enamido]imino}methyl]phenyl 4-nitrobenzoate

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

8004-1338

Molecular Formula

C30H24N4O7S (C30 H24 N4 O7 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=N/NC(/C(/NC(c1ccccc1)=O)=C\c1cccs1)=O)cc1)c1OC(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C30H24N4O7S/c1-2-40-27-17-20(10-15-26(27)41-30(37)22-11-13-23(14-12-22)34(38)39)19-31-33-29(36)25(18-24-9-6-16-42-24)32-28(35)21-7-4-3-5-8-21/h3-19H,2H2,1H3,(H,32,35)(H,33,36)

InChI Key

JIZCLVXOYRYMGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.61

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

4.196

Water Solubility, LogSw

-4.76

Polar Surface Area

119.553

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8004-1338 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 8004-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1338?
Check Price and Availability of 8004-1338, 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 8004-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1338
  • 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 8004-1338 available by request