8640-0068 Screening compound: ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

8640-0068 Screening compound: ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
8640-0068 Screening compound: ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0068
ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-5,5-dimethyl-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

8640-0068

Molecular Formula

C16H24N2O5S (C16 H24 N2 O5 S)

Compound Name

ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

ethyl 2-{[(2-hydroxypropyl)carbamoyl]amino}-55-dimethyl-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CCOC(c1c(NC(NCC(C)O)=O)sc2c1CC(C)(C)OC2)=O

InChI

InChI=1S/C16H24N2O5S/c1-5-22-14(20)12-10-6-16(3,4)23-8-11(10)24-13(12)18-15(21)17-7-9(2)19/h9,19H,5-8H2,1-4H3,(H2,17,18,21)/t9-/m0/s1

InChI Key

WSASBBNGDJPYTH-VIFPVBQESA-N

MDL Number (MFCD)

MFCD14713536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.955

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-2.48

Polar Surface Area

78.779

Acid Dissociation Constant (pKa)

6.35

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

8640-0068 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8640-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0068?
Check Price and Availability of 8640-0068, 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 8640-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0068
  • 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 8640-0068 available by request