4884-9120 Screening compound: 4-[3-(4-fluorobenzoyl)-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid

4884-9120 Screening compound: 4-[3-(4-fluorobenzoyl)-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid
4884-9120 Screening compound: 4-[3-(4-fluorobenzoyl)-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4884-9120
4-[3-(4-fluorobenzoyl)-4-hydroxy-2-[4-(methoxycarbonyl)phenyl]-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

4884-9120

Molecular Formula

C23H20FNO7 (C23 H20 FNO7)

Compound Name

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

IUPAC name

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

SMILES

COC(c1ccc(C(C(C(c(cc2)ccc2F)=O)=C2O)N(CCCC(O)=O)C2=O)cc1)=O

InChI

InChI=1S/C23H20FNO7/c1-32-23(31)15-6-4-13(5-7-15)19-18(20(28)14-8-10-16(24)11-9-14)21(29)22(30)25(19)12-2-3-17(26)27/h4-11,19,29H,2-3,12H2,1H3,(H,26,27)/t19-/m1/s1

InChI Key

ZYIZLPZQKOHULQ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD03446191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

-0.828

Water Solubility, LogSw

-2.49

Polar Surface Area

94.634

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

4884-9120 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 4884-9120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4884-9120?
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What is the minimum amount of 4884-9120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4884-9120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4884-9120
  • 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 4884-9120 available by request