1683-0621 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate

1683-0621 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate
1683-0621 Screening compound: 2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1683-0621
2,4-diethyl 5-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]-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

1683-0621

Molecular Formula

C25H28N2O7S (C25 H28 N2 O7 S)

Compound Name

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

IUPAC name

24-diethyl 5-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-4-methylpentanamido]-3-methylthiophene-24-dicarboxylate

SMILES

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

InChI

InChI=1S/C25H28N2O7S/c1-6-33-24(31)18-14(5)19(25(32)34-7-2)35-21(18)26-20(28)17(12-13(3)4)27-22(29)15-10-8-9-11-16(15)23(27)30/h8-11,13,17H,6-7,12H2,1-5H3,(H,26,28)/t17-/m0/s1

InChI Key

JKJNJGPJRKDPJP-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00706754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.57

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

4.749

Distribution Coefficient, logD

2.685

Water Solubility, LogSw

-4.62

Polar Surface Area

93.081

Acid Dissociation Constant (pKa)

5.34

Base Dissociation Constant (pKb)

-7.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

1683-0621 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Frequent Hitters Library (7624 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 1683-0621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1683-0621?
Check Price and Availability of 1683-0621, 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 1683-0621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1683-0621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1683-0621
  • 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 1683-0621 available by request