4530-7128 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

4530-7128 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
4530-7128 Screening compound: 3-[3-(4-chlorobenzoyl)-2-(2-fluorophenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4530-7128
3-[3-(4-chlorobenzoyl)-2-(2-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

4530-7128

Molecular Formula

C20H15ClFNO5 (C20 H15 ClFNO5)

Compound Name

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

IUPAC name

3-[3-(4-chlorobenzoyl)-2-(2-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(cccc2)c2F)C1=O)=O

InChI

InChI=1S/C20H15ClFNO5/c21-12-7-5-11(6-8-12)18(26)16-17(13-3-1-2-4-14(13)22)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

CHFXGVQIMBWUMV-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD02231556

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

2.465

Distribution Coefficient, logD

-0.231

Water Solubility, LogSw

-3.20

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

4530-7128 in Drug Discovery

Included in Screening Libraries

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 4530-7128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4530-7128?
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What is the minimum amount of 4530-7128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4530-7128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4530-7128
  • 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 4530-7128 available by request