5867-2965 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

5867-2965 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
5867-2965 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5867-2965
2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

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

5867-2965

Molecular Formula

C26H21N5O3S3 (C26 H21 N5 O3 S3)

Compound Name

2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide

IUPAC name

2-{[5-(4-methoxyphenyl)-4-oxo-3-(prop-2-en-1-yl)-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}-N-(3-phenyl-124-thiadiazol-5-yl)acetamide

SMILES

COc(cc1)ccc1-c1csc(N=C(N2CC=C)SCC(Nc3nc(-c4ccccc4)ns3)=O)c1C2=O

InChI

InChI=1S/C26H21N5O3S3/c1-3-13-31-24(33)21-19(16-9-11-18(34-2)12-10-16)14-35-23(21)29-26(31)36-15-20(32)27-25-28-22(30-37-25)17-7-5-4-6-8-17/h3-12,14H,1,13,15H2,2H3,(H,27,28,30,32)

InChI Key

XMSVVFWGZXGHLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.695

Distribution Coefficient, logD

5.695

Water Solubility, LogSw

-5.60

Polar Surface Area

76.932

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

-2.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

5867-2965 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 5867-2965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5867-2965?
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What is the minimum amount of 5867-2965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5867-2965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5867-2965
  • 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 5867-2965 available by request