4393-0008 Screening compound: 6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid

4393-0008 Screening compound: 6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid
4393-0008 Screening compound: 6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0008
6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic 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

4393-0008

Molecular Formula

C25H27FN2O5 (C25 H27 FN2 O5)

Compound Name

6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}hexanoic acid

IUPAC name

6-{2-[4-(dimethylamino)phenyl]-3-(4-fluorobenzoyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl}hexanoic acid

SMILES

CN(C)c1ccc(C(C(C(c(cc2)ccc2F)=O)=C2O)N(CCCCCC(O)=O)C2=O)cc1

InChI

InChI=1S/C25H27FN2O5/c1-27(2)19-13-9-16(10-14-19)22-21(23(31)17-7-11-18(26)12-8-17)24(32)25(33)28(22)15-5-3-4-6-20(29)30/h7-14,22,32H,3-6,15H2,1-2H3,(H,29,30)/t22-/m1/s1

InChI Key

SYIGOFAAVZVTNQ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD02049875

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

0.175

Water Solubility, LogSw

-3.17

Polar Surface Area

76.265

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 4393-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0008?
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What is the minimum amount of 4393-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0008
  • 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 4393-0008 available by request