K286-0354 Screening compound: ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate

K286-0354 Screening compound: ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate
K286-0354 Screening compound: ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K286-0354
ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate

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

K286-0354

Molecular Formula

C25H25N3O5S3 (C25 H25 N3 O5 S3)

Compound Name

ethyl 4-{5-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H,3H,6H,7H-[1,3]thiazolo[4,5-d]pyrimidin-3-yl}benzoate

IUPAC name

ethyl 4-{5-[(33-dimethyl-2-oxobutyl)sulfanyl]-6-[(furan-2-yl)methyl]-7-oxo-2-sulfanylidene-2H3H6H7H-[13]thiazolo[45-d]pyrimidin-3-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(C(N=C(N(Cc1ccco1)C1=O)SCC(C(C)(C)C)=O)=C1S1)C1=S)=O

InChI

InChI=1S/C25H25N3O5S3/c1-5-32-22(31)15-8-10-16(11-9-15)28-20-19(36-24(28)34)21(30)27(13-17-7-6-12-33-17)23(26-20)35-14-18(29)25(2,3)4/h6-12H,5,13-14H2,1-4H3

InChI Key

VGDARIYPLYUUAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.366

Distribution Coefficient, logD

5.366

Water Solubility, LogSw

-5.29

Polar Surface Area

69.587

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K286-0354 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K286-0354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K286-0354?
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What is the minimum amount of K286-0354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K286-0354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K286-0354
  • 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 K286-0354 available by request