K285-5194 Screening compound: methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

K285-5194 Screening compound: methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate
K285-5194 Screening compound: methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-5194
methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-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

K285-5194

Molecular Formula

C16H14ClN3O3S2 (C16 H14 ClN3 O3 S2)

Compound Name

methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylate

IUPAC name

methyl 3-amino-2-{[(3-chlorophenyl)methyl]sulfanyl}-5-methyl-4-oxo-3H4H-thieno[23-d]pyrimidine-6-carboxylate

SMILES

Cc1c(C(OC)=O)sc(N=C(N2N)SCc3cccc(Cl)c3)c1C2=O

InChI

InChI=1S/C16H14ClN3O3S2/c1-8-11-13(25-12(8)15(22)23-2)19-16(20(18)14(11)21)24-7-9-4-3-5-10(17)6-9/h3-6H,7,18H2,1-2H3

InChI Key

COOJLBLUBZUURY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15090001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.314

Distribution Coefficient, logD

3.314

Water Solubility, LogSw

-4.01

Polar Surface Area

63.624

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

-1.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K285-5194 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K285-5194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5194?
Check Price and Availability of K285-5194, 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 K285-5194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5194
  • 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 K285-5194 available by request