K285-5134 Screening compound: 2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

K285-5134 Screening compound: 2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide
K285-5134 Screening compound: 2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K285-5134
2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

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

K285-5134

Molecular Formula

C29H38N4O3S2 (C29 H38 N4 O3 S2)

Compound Name

2-{[1-(3,5-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-N,N,5-trimethyl-4-oxo-3-(2-phenylethyl)-3H,4H-thieno[2,3-d]pyrimidine-6-carboxamide

IUPAC name

2-{[1-(35-dimethylpiperidin-1-yl)-1-oxobutan-2-yl]sulfanyl}-NN5-trimethyl-4-oxo-3-(2-phenylethyl)-3H4H-thieno[23-d]pyrimidine-6-carboxamide

SMILES

CCC(C(N1CC(C)CC(C)C1)=O)SC(N1CCc2ccccc2)=Nc(sc(C(N(C)C)=O)c2C)c2C1=O

InChI

InChI=1S/C29H38N4O3S2/c1-7-22(26(34)32-16-18(2)15-19(3)17-32)37-29-30-25-23(20(4)24(38-25)28(36)31(5)6)27(35)33(29)14-13-21-11-9-8-10-12-21/h8-12,18-19,22H,7,13-17H2,1-6H3

InChI Key

NJZBBXHGTIDSGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063305

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.66

Polar Surface Area

58.439

Acid Dissociation Constant (pKa)

25.38

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.70

K285-5134 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K285-5134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K285-5134?
Check Price and Availability of K285-5134, 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 K285-5134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K285-5134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K285-5134
  • 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 K285-5134 available by request