8011-8346 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide

8011-8346 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide
8011-8346 Screening compound: 2-{[5-(4-methoxyphenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-8346
2-{[5-(4-methoxyphenyl)-4-oxo-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenoxyethyl)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

8011-8346

Molecular Formula

C29H25N3O4S2 (C29 H25 N3 O4 S2)

Compound Name

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

IUPAC name

2-{[5-(4-methoxyphenyl)-4-oxo-3-phenyl-3H4H-thieno[23-d]pyrimidin-2-yl]sulfanyl}-N-(2-phenoxyethyl)acetamide

SMILES

COc(cc1)ccc1-c1csc(N=C(N2c3ccccc3)SCC(NCCOc3ccccc3)=O)c1C2=O

InChI

InChI=1S/C29H25N3O4S2/c1-35-22-14-12-20(13-15-22)24-18-37-27-26(24)28(34)32(21-8-4-2-5-9-21)29(31-27)38-19-25(33)30-16-17-36-23-10-6-3-7-11-23/h2-15,18H,16-17,19H2,1H3,(H,30,33)

InChI Key

FXHFLIIYBMQZHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.296

Distribution Coefficient, logD

5.296

Water Solubility, LogSw

-5.38

Polar Surface Area

64.065

Acid Dissociation Constant (pKa)

15.31

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

8011-8346 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8011-8346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-8346?
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What is the minimum amount of 8011-8346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-8346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-8346
  • 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 8011-8346 available by request