2969-0050 Screening compound: ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

2969-0050 Screening compound: ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
2969-0050 Screening compound: ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0050
ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H,5H,7H-thieno[2,3-c]pyran-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

2969-0050

Molecular Formula

C20H24N2O3S2 (C20 H24 N2 O3 S2)

Compound Name

ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

ethyl 5-ethyl-5-methyl-2-[(phenylcarbamothioyl)amino]-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CCC(C)(C1)OCc2c1c(C(OCC)=O)c(NC(Nc1ccccc1)=S)s2

InChI

InChI=1S/C20H24N2O3S2/c1-4-20(3)11-14-15(12-25-20)27-17(16(14)18(23)24-5-2)22-19(26)21-13-9-7-6-8-10-13/h6-10H,4-5,11-12H2,1-3H3,(H2,21,22,26)/t20-/m0/s1

InChI Key

WFEAWYSRQJYMJH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01557331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.083

Distribution Coefficient, logD

4.673

Water Solubility, LogSw

-5.04

Polar Surface Area

47.421

Acid Dissociation Constant (pKa)

7.20

Base Dissociation Constant (pKb)

-4.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

2969-0050 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 2969-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2969-0050?
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What is the minimum amount of 2969-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0050
  • 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 2969-0050 available by request