4476-4689 Screening compound: 5-(2-FLUOROPHENYL)-3-HYDROXY-1-(1,3,4-THIADIAZOL-2-YL)-4-(THIOPHENE-2-CARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

4476-4689 Screening compound: 5-(2-FLUOROPHENYL)-3-HYDROXY-1-(1,3,4-THIADIAZOL-2-YL)-4-(THIOPHENE-2-CARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE
4476-4689 Screening compound: 5-(2-FLUOROPHENYL)-3-HYDROXY-1-(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 4476-4689
5-(2-FLUOROPHENYL)-3-HYDROXY-1-(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

4476-4689

Molecular Formula

C17H10FN3O3S2 (C17 H10 FN3 O3 S2)

Compound Name

5-(2-FLUOROPHENYL)-3-HYDROXY-1-(1,3,4-THIADIAZOL-2-YL)-4-(THIOPHENE-2-CARBONYL)-2,5-DIHYDRO-1H-PYRROL-2-ONE

IUPAC name

n/a

SMILES

OC(C(N(C1c(cccc2)c2F)c2nncs2)=O)=C1C(c1cccs1)=O

InChI

InChI=1S/C17H10FN3O3S2/c18-10-5-2-1-4-9(10)13-12(14(22)11-6-3-7-25-11)15(23)16(24)21(13)17-20-19-8-26-17/h1-8,13,23H/t13-/m1/s1

InChI Key

YYDPPCFHBJUJMY-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01956242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.42

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

2.527

Water Solubility, LogSw

-3.10

Polar Surface Area

68.583

Acid Dissociation Constant (pKa)

7.45

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.90

4476-4689 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4476-4689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4689?
Check Price and Availability of 4476-4689, 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 4476-4689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4689
  • 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 4476-4689 available by request