1683-0614 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-methylthiophene-2,4-dicarboxylate

1683-0614 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-methylthiophene-2,4-dicarboxylate
1683-0614 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0614
2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-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

1683-0614

Molecular Formula

C28H26N2O7S (C28 H26 N2 O7 S)

Compound Name

2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-3-phenylpropanamido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(C(Cc2ccccc2)N(C(c2c3cccc2)=O)C3=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C28H26N2O7S/c1-4-36-27(34)21-16(3)22(28(35)37-5-2)38-24(21)29-23(31)20(15-17-11-7-6-8-12-17)30-25(32)18-13-9-10-14-19(18)26(30)33/h6-14,20H,4-5,15H2,1-3H3,(H,29,31)/t20-/m0/s1

InChI Key

YBVHOGZOEBJSMY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00706747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.182

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-5.21

Polar Surface Area

92.810

Acid Dissociation Constant (pKa)

4.93

Base Dissociation Constant (pKb)

-7.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

1683-0614 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 1683-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0614?
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What is the minimum amount of 1683-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0614
  • 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 1683-0614 available by request