D429-0206 Screening compound: ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-amido]thiophene-3-carboxylate

D429-0206 Screening compound: ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-amido]thiophene-3-carboxylate
D429-0206 Screening compound: ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-amido]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D429-0206
ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-amido]thiophene-3-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

D429-0206

Molecular Formula

C26H25NO5S (C26 H25 NO5 S)

Compound Name

ethyl 4,5-dimethyl-2-[3-(4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-6-amido]thiophene-3-carboxylate

IUPAC name

ethyl 45-dimethyl-2-[3-(4-methylphenyl)-1-oxo-34-dihydro-1H-2-benzopyran-6-amido]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc(CC(c3ccc(C)cc3)O3)c2C3=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C26H25NO5S/c1-5-31-26(30)22-15(3)16(4)33-24(22)27-23(28)18-10-11-20-19(12-18)13-21(32-25(20)29)17-8-6-14(2)7-9-17/h6-12,21H,5,13H2,1-4H3,(H,27,28)/t21-/m1/s1

InChI Key

DJSVERWZAJHQCF-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD09980361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.656

Distribution Coefficient, logD

1.308

Water Solubility, LogSw

-5.61

Polar Surface Area

64.430

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-6.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

D429-0206 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D429-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D429-0206?
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What is the minimum amount of D429-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D429-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D429-0206
  • 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 D429-0206 available by request