K263-0421 Screening compound: N~1~,N~1~-diethyl-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide

K263-0421 Screening compound: N~1~,N~1~-diethyl-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide
K263-0421 Screening compound: N~1~,N~1~-diethyl-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0421
N~1~,N~1~-diethyl-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide

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

K263-0421

Molecular Formula

C26H29N3O2S2 (C26 H29 N3 O2 S2)

Compound Name

N~1~,N~1~-diethyl-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]butanamide

IUPAC name

NN-diethyl-2-{[6-oxo-5-(2-phenylethyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}butanamide

SMILES

CCC(C(N(CC)CC)=O)SC(N(CCc1ccccc1)C1=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C26H29N3O2S2/c1-4-20(24(30)28(5-2)6-3)33-26-27-22-19-14-10-11-15-21(19)32-23(22)25(31)29(26)17-16-18-12-8-7-9-13-18/h7-15,20H,4-6,16-17H2,1-3H3/t20-/m0/s1

InChI Key

LVYPBOIMLCBDMH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15085464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.835

Distribution Coefficient, logD

5.835

Water Solubility, LogSw

-5.71

Polar Surface Area

40.448

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

7.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

K263-0421 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0421?
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What is the minimum amount of K263-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0421
  • 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 K263-0421 available by request