4340-2798 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

4340-2798 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one
4340-2798 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2798
4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-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

4340-2798

Molecular Formula

C23H18ClN3O4S (C23 H18 ClN3 O4 S)

Compound Name

4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-134-thiadiazol-2-yl)-5-[4-(prop-2-en-1-yloxy)phenyl]-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1nnc(N(C(C(C(c(cc2)ccc2Cl)=O)=C2O)c(cc3)ccc3OCC=C)C2=O)s1

InChI

InChI=1S/C23H18ClN3O4S/c1-3-12-31-17-10-6-14(7-11-17)19-18(20(28)15-4-8-16(24)9-5-15)21(29)22(30)27(19)23-26-25-13(2)32-23/h3-11,19,29H,1,12H2,2H3/t19-/m1/s1

InChI Key

YIIICWILLGSJLD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03417652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.920

Water Solubility, LogSw

-4.55

Polar Surface Area

74.758

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

4340-2798 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4340-2798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2798?
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What is the minimum amount of 4340-2798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2798
  • 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 4340-2798 available by request