4340-2799 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

4340-2799 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one
4340-2799 Screening compound: 4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4340-2799
4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-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

4340-2799

Molecular Formula

C26H18ClN3O4S (C26 H18 ClN3 O4 S)

Compound Name

4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-chlorobenzoyl)-3-hydroxy-1-(5-methyl-134-thiadiazol-2-yl)-5-(3-phenoxyphenyl)-25-dihydro-1H-pyrrol-2-one

SMILES

Cc1nnc(N(C(C(C(c(cc2)ccc2Cl)=O)=C2O)c3cc(Oc4ccccc4)ccc3)C2=O)s1

InChI

InChI=1S/C26H18ClN3O4S/c1-15-28-29-26(35-15)30-22(17-6-5-9-20(14-17)34-19-7-3-2-4-8-19)21(24(32)25(30)33)23(31)16-10-12-18(27)13-11-16/h2-14,22,32H,1H3/t22-/m1/s1

InChI Key

QXWULKYLVBTWDX-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03016751

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

5.029

Water Solubility, LogSw

-5.28

Polar Surface Area

74.089

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-7.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.70

4340-2799 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCL1 Targeted Library (12200 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4340-2799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4340-2799?
Check Price and Availability of 4340-2799, 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 4340-2799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4340-2799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4340-2799
  • 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 4340-2799 available by request