4530-7127 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

4530-7127 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
4530-7127 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7127
3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic 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

4530-7127

Molecular Formula

C20H15ClFNO5 (C20 H15 ClFNO5)

Compound Name

3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

IUPAC name

3-[3-(4-chlorobenzoyl)-2-(4-fluorophenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]propanoic acid

SMILES

OC(CCN(C(C(C(c(cc1)ccc1Cl)=O)=C1O)c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C20H15ClFNO5/c21-13-5-1-12(2-6-13)18(26)16-17(11-3-7-14(22)8-4-11)23(10-9-15(24)25)20(28)19(16)27/h1-8,17,27H,9-10H2,(H,24,25)/t17-/m1/s1

InChI Key

PNDHZODUOGZYKK-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02231555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.79

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

-0.389

Water Solubility, LogSw

-3.27

Polar Surface Area

73.461

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

4530-7127 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4530-7127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7127?
Check Price and Availability of 4530-7127, 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 4530-7127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7127
  • 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 4530-7127 available by request