3643-3004 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-carboxylate

3643-3004 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-carboxylate
3643-3004 Screening compound: ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3643-3004
ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-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

3643-3004

Molecular Formula

C26H24N2O5S (C26 H24 N2 O5 S)

Compound Name

ethyl 2-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-methylbutanamido]-5-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(C(C)C)N(C(c2c3cccc2)=O)C3=O)=O)sc(-c2ccccc2)c1)=O

InChI

InChI=1S/C26H24N2O5S/c1-4-33-26(32)19-14-20(16-10-6-5-7-11-16)34-23(19)27-22(29)21(15(2)3)28-24(30)17-12-8-9-13-18(17)25(28)31/h5-15,21H,4H2,1-3H3,(H,27,29)/t21-/m0/s1

InChI Key

IPOSSMZUGVUHDL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD02350926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.790

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-5.47

Polar Surface Area

72.092

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-8.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

3643-3004 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3643-3004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3643-3004?
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What is the minimum amount of 3643-3004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3643-3004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3643-3004
  • 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 3643-3004 available by request