4340-2805 Screening compound: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

4340-2805 Screening compound: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
4340-2805 Screening compound: 5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2805
5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

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

4340-2805

Molecular Formula

C20H17N3O5S2 (C20 H17 N3 O5 S2)

Compound Name

5-(3,4-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

5-(34-dimethoxyphenyl)-3-hydroxy-1-(5-methyl-134-thiadiazol-2-yl)-4-(thiophene-2-carbonyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1nnc(N(C(C(C(c2cccs2)=O)=C2O)c(cc3)cc(OC)c3OC)C2=O)s1

InChI

InChI=1S/C20H17N3O5S2/c1-10-21-22-20(30-10)23-16(11-6-7-12(27-2)13(9-11)28-3)15(18(25)19(23)26)17(24)14-5-4-8-29-14/h4-9,16,25H,1-3H3/t16-/m1/s1

InChI Key

RJSMGXPFAZSOBL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03042716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.097

Water Solubility, LogSw

-2.58

Polar Surface Area

83.620

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4340-2805 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
Targets:
  • Ion Channels
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4340-2805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2805?
Check Price and Availability of 4340-2805, 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 4340-2805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2805
  • 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 4340-2805 available by request