8640-0048 Screening compound: methyl 5,5-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

8640-0048 Screening compound: methyl 5,5-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate
8640-0048 Screening compound: methyl 5,5-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0048
methyl 5,5-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-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

8640-0048

Molecular Formula

C19H21N3O5S (C19 H21 N3 O5 S)

Compound Name

methyl 5,5-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-4H,5H,7H-thieno[2,3-c]pyran-3-carboxylate

IUPAC name

methyl 55-dimethyl-2-({[(pyridin-4-yl)methyl]carbamoyl}formamido)-4H5H7H-thieno[23-c]pyran-3-carboxylate

SMILES

CC(C)(C1)OCc2c1c(C(OC)=O)c(NC(C(NCc1ccncc1)=O)=O)s2

InChI

InChI=1S/C19H21N3O5S/c1-19(2)8-12-13(10-27-19)28-17(14(12)18(25)26-3)22-16(24)15(23)21-9-11-4-6-20-7-5-11/h4-7H,8-10H2,1-3H3,(H,21,23)(H,22,24)

InChI Key

BJHVLQUFUHYVFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08289218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.408

Distribution Coefficient, logD

-5.053

Water Solubility, LogSw

-1.93

Polar Surface Area

86.029

Acid Dissociation Constant (pKa)

0.94

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

8640-0048 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8640-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0048?
Check Price and Availability of 8640-0048, 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 8640-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0048
  • 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 8640-0048 available by request