3888-0168 Screening compound: 4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one

3888-0168 Screening compound: 4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
3888-0168 Screening compound: 4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3888-0168
4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-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

3888-0168

Molecular Formula

C19H11F2N3O3S (C19 H11 F2 N3 O3 S)

Compound Name

4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

4-(4-fluorobenzoyl)-5-(4-fluorophenyl)-3-hydroxy-1-(134-thiadiazol-2-yl)-25-dihydro-1H-pyrrol-2-one

SMILES

OC(C(N(C1c(cc2)ccc2F)c2nncs2)=O)=C1C(c(cc1)ccc1F)=O

InChI

InChI=1S/C19H11F2N3O3S/c20-12-5-1-10(2-6-12)15-14(16(25)11-3-7-13(21)8-4-11)17(26)18(27)24(15)19-23-22-9-28-19/h1-9,15,26H/t15-/m1/s1

InChI Key

RLXOITMWCFZYLU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01917331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.21

Polar Surface Area

67.565

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

3888-0168 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3888-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3888-0168?
Check Price and Availability of 3888-0168, 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 3888-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3888-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3888-0168
  • 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 3888-0168 available by request