8010-3513 Screening compound: 6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

8010-3513 Screening compound: 6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid
8010-3513 Screening compound: 6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3513
6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-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

8010-3513

Molecular Formula

C25H27NO5 (C25 H27 NO5)

Compound Name

6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-2,5-dihydro-1H-pyrrol-1-yl]hexanoic acid

IUPAC name

6-[3-hydroxy-4-(4-methylbenzoyl)-5-(4-methylphenyl)-2-oxo-25-dihydro-1H-pyrrol-1-yl]hexanoic acid

SMILES

Cc1ccc(C(C(C(c2ccc(C)cc2)=O)=C2O)N(CCCCCC(O)=O)C2=O)cc1

InChI

InChI=1S/C25H27NO5/c1-16-7-11-18(12-8-16)22-21(23(29)19-13-9-17(2)10-14-19)24(30)25(31)26(22)15-5-3-4-6-20(27)28/h7-14,22,30H,3-6,15H2,1-2H3,(H,27,28)/t22-/m0/s1

InChI Key

IOLVOCKLZKDXGB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01871955

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.730

Distribution Coefficient, logD

0.902

Water Solubility, LogSw

-3.78

Polar Surface Area

73.461

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with 8010-3513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3513?
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What is the minimum amount of 8010-3513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3513
  • 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 8010-3513 available by request