3297-1001 Screening compound: 2,4-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

3297-1001 Screening compound: 2,4-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate
3297-1001 Screening compound: 2,4-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3297-1001
2,4-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-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

3297-1001

Molecular Formula

C24H29NO7S (C24 H29 NO7 S)

Compound Name

2,4-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[(2E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCCOc(ccc(/C=C/C(Nc1c(C(OCC)=O)c(C)c(C(OCC)=O)s1)=O)c1)c1OC

InChI

InChI=1S/C24H29NO7S/c1-6-13-32-17-11-9-16(14-18(17)29-5)10-12-19(26)25-22-20(23(27)30-7-2)15(4)21(33-22)24(28)31-8-3/h9-12,14H,6-8,13H2,1-5H3,(H,25,26)

InChI Key

FOSFBCSQTMHVKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02080986

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-5.20

Polar Surface Area

79.553

Acid Dissociation Constant (pKa)

5.41

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

3297-1001 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 3297-1001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3297-1001?
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What is the minimum amount of 3297-1001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3297-1001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3297-1001
  • 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 3297-1001 available by request