6247-0360 Screening compound: ethyl 2-[3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

6247-0360 Screening compound: ethyl 2-[3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
6247-0360 Screening compound: ethyl 2-[3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-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 6247-0360
ethyl 2-[3-(1-benzofuran-2-carbonyl)-2-(3,4-dimethoxyphenyl)-4-hydroxy-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

6247-0360

Molecular Formula

C28H24N2O8S (C28 H24 N2 O8 S)

Compound Name

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

IUPAC name

ethyl 2-[3-(1-benzofuran-2-carbonyl)-2-(34-dimethoxyphenyl)-4-hydroxy-5-oxo-25-dihydro-1H-pyrrol-1-yl]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(N(C(C(C(c2cc(cccc3)c3o2)=O)=C2O)c(cc3)cc(OC)c3OC)C2=O)s1)=O

InChI

InChI=1S/C28H24N2O8S/c1-5-37-27(34)25-14(2)29-28(39-25)30-22(16-10-11-18(35-3)19(13-16)36-4)21(24(32)26(30)33)23(31)20-12-15-8-6-7-9-17(15)38-20/h6-13,22,32H,5H2,1-4H3/t22-/m1/s1

InChI Key

YZYKCKKKJRAPFR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD03509177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.57

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.836

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-5.03

Polar Surface Area

98.920

Acid Dissociation Constant (pKa)

6.93

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

6247-0360 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 6247-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6247-0360?
Check Price and Availability of 6247-0360, 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 6247-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6247-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6247-0360
  • 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 6247-0360 available by request