3807-1913 Screening compound: ethyl 2-[(benzylcarbamothioyl)amino]-5-ethyl-5-methyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

3807-1913 Screening compound: ethyl 2-[(benzylcarbamothioyl)amino]-5-ethyl-5-methyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
3807-1913 Screening compound: ethyl 2-[(benzylcarbamothioyl)amino]-5-ethyl-5-methyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3807-1913
ethyl 2-[(benzylcarbamothioyl)amino]-5-ethyl-5-methyl-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

3807-1913

Molecular Formula

C21H26N2O3S2 (C21 H26 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C1)OCc2c1c(C(OCC)=O)c(NC(NCc1ccccc1)=S)s2

InChI

InChI=1S/C21H26N2O3S2/c1-4-21(3)11-15-16(13-26-21)28-18(17(15)19(24)25-5-2)23-20(27)22-12-14-9-7-6-8-10-14/h6-10H,4-5,11-13H2,1-3H3,(H2,22,23,27)/t21-/m0/s1

InChI Key

XQDFRNSGBXBAJU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01557687

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.630

Distribution Coefficient, logD

4.429

Water Solubility, LogSw

-4.67

Polar Surface Area

48.743

Acid Dissociation Constant (pKa)

7.63

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

3807-1913 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 3807-1913 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3807-1913?
Check Price and Availability of 3807-1913, 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 3807-1913 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3807-1913
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3807-1913
  • 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 3807-1913 available by request