3334-4748 Screening compound: 4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-2,4-dicarboxylate

3334-4748 Screening compound: 4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-2,4-dicarboxylate
3334-4748 Screening compound: 4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3334-4748
4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-2,4-dicarboxylate

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

3334-4748

Molecular Formula

C17H17NO5S2 (C17 H17 NO5 S2)

Compound Name

4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-2,4-dicarboxylate

IUPAC name

4-ethyl 2-methyl 3-methyl-5-[(2E)-3-(thiophen-2-yl)prop-2-enamido]thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(/C=C/c2cccs2)=O)sc(C(OC)=O)c1C)=O

InChI

InChI=1S/C17H17NO5S2/c1-4-23-16(20)13-10(2)14(17(21)22-3)25-15(13)18-12(19)8-7-11-6-5-9-24-11/h5-9H,4H2,1-3H3,(H,18,19)

InChI Key

JHKOVHJIBYNJID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01917732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.436

Distribution Coefficient, logD

1.258

Water Solubility, LogSw

-3.68

Polar Surface Area

65.856

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

3334-4748 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 3334-4748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3334-4748?
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What is the minimum amount of 3334-4748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3334-4748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3334-4748
  • 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 3334-4748 available by request