8012-3446 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

8012-3446 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one
8012-3446 Screening compound: 3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3446
3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

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

8012-3446

Molecular Formula

C24H21NO4S (C24 H21 NO4 S)

Compound Name

3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-2,5-dihydro-1H-pyrrol-2-one

IUPAC name

3-hydroxy-5-(4-methoxyphenyl)-1-(2-phenylethyl)-4-(thiophene-2-carbonyl)-25-dihydro-1H-pyrrol-2-one

SMILES

COc1ccc(C(C(C(c2cccs2)=O)=C2O)N(CCc3ccccc3)C2=O)cc1

InChI

InChI=1S/C24H21NO4S/c1-29-18-11-9-17(10-12-18)21-20(22(26)19-8-5-15-30-19)23(27)24(28)25(21)14-13-16-6-3-2-4-7-16/h2-12,15,21,27H,13-14H2,1H3/t21-/m1/s1

InChI Key

DUZPWFUKRVYFPS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02934748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.386

Distribution Coefficient, logD

4.361

Water Solubility, LogSw

-4.21

Polar Surface Area

53.367

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8012-3446 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 8012-3446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3446?
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What is the minimum amount of 8012-3446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3446
  • 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 8012-3446 available by request