K305-0139 Screening compound: benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetate

K305-0139 Screening compound: benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetate
K305-0139 Screening compound: benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K305-0139
benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetate

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

K305-0139

Molecular Formula

C26H25N3O6S (C26 H25 N3 O6 S)

Compound Name

benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-2,4-dioxo-1H,2H,3H,4H-thieno[2,3-d]pyrimidin-1-yl]acetate

IUPAC name

benzyl 2-[6-(dimethylcarbamoyl)-3-(3-methoxyphenyl)-5-methyl-24-dioxo-1H2H3H4H-thieno[23-d]pyrimidin-1-yl]acetate

SMILES

Cc1c(C(N(C)C)=O)sc(N(CC(OCc2ccccc2)=O)C(N2c3cc(OC)ccc3)=O)c1C2=O

InChI

InChI=1S/C26H25N3O6S/c1-16-21-23(31)29(18-11-8-12-19(13-18)34-4)26(33)28(25(21)36-22(16)24(32)27(2)3)14-20(30)35-15-17-9-6-5-7-10-17/h5-13H,14-15H2,1-4H3

InChI Key

NPMRPFVVPFWVGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15092755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.34

Polar Surface Area

75.186

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K305-0139 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 K305-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K305-0139?
Check Price and Availability of K305-0139, 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 K305-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K305-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K305-0139
  • 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 K305-0139 available by request