6247-0337 Screening compound: methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

6247-0337 Screening compound: methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
6247-0337 Screening compound: methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6247-0337
methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

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

6247-0337

Molecular Formula

C26H20N2O7S (C26 H20 N2 O7 S)

Compound Name

methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

methyl 2-[3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methoxyphenyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N(C(C(C(c2cc(cccc3)c3o2)=O)=C2O)c(cc3)ccc3OC)C2=O)n1

InChI

InChI=1S/C26H20N2O7S/c1-13-23(25(32)34-3)36-26(27-13)28-20(14-8-10-16(33-2)11-9-14)19(22(30)24(28)31)21(29)18-12-15-6-4-5-7-17(15)35-18/h4-12,20,30H,1-3H3/t20-/m1/s1

InChI Key

OWQSDZZWHNFPID-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06279824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.736

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-5.10

Polar Surface Area

91.623

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

6247-0337 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 6247-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0337?
Check Price and Availability of 6247-0337, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6247-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0337
  • 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 6247-0337 available by request