8015-0106 Screening compound: 4-[2-(2,4-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

8015-0106 Screening compound: 4-[2-(2,4-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
8015-0106 Screening compound: 4-[2-(2,4-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0106
4-[2-(2,4-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

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

8015-0106

Molecular Formula

C21H16Cl2FNO5 (C21 H16 Cl2 FNO5)

Compound Name

4-[2-(2,4-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

IUPAC name

4-[2-(24-dichlorophenyl)-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]butanoic acid

SMILES

OC(CCCN(C(C(C(c(cc1)ccc1F)=O)=C1O)c(ccc(Cl)c2)c2Cl)C1=O)=O

InChI

InChI=1S/C21H16Cl2FNO5/c22-12-5-8-14(15(23)10-12)18-17(19(28)11-3-6-13(24)7-4-11)20(29)21(30)25(18)9-1-2-16(26)27/h3-8,10,18,29H,1-2,9H2,(H,26,27)/t18-/m1/s1

InChI Key

PUVUUGPEDVNUIO-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03700371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-3.70

Polar Surface Area

73.461

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-6.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8015-0106 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0106?
Check Price and Availability of 8015-0106, 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 8015-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0106
  • 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 8015-0106 available by request