4476-4530 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one

4476-4530 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-4-(4-fluorobenzoyl)-3-hydroxy-1-(1,3,4-thiadiazol-2-yl)-2,5-dihydro-1H-pyrrol-2-one
4476-4530 Screening compound: 5-(3-ethoxy-4-hydroxyphenyl)-4-(4-fluorobenzoyl)-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 4476-4530
5-(3-ethoxy-4-hydroxyphenyl)-4-(4-fluorobenzoyl)-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

4476-4530

Molecular Formula

C21H16FN3O5S (C21 H16 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C(C(C(c(cc1)ccc1F)=O)=C(C1=O)O)N1c1nncs1)cc1)c1O

InChI

InChI=1S/C21H16FN3O5S/c1-2-30-15-9-12(5-8-14(15)26)17-16(18(27)11-3-6-13(22)7-4-11)19(28)20(29)25(17)21-24-23-10-31-21/h3-10,17,26,28H,2H2,1H3/t17-/m1/s1

InChI Key

OQCJTNWVCDFNLX-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01917332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.540

Distribution Coefficient, logD

2.492

Water Solubility, LogSw

-2.77

Polar Surface Area

91.323

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-8.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

4476-4530 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4476-4530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-4530?
Check Price and Availability of 4476-4530, 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 4476-4530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-4530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-4530
  • 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 4476-4530 available by request