4052-2776 Screening compound: N-(3-{[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}phenyl)acetamide

4052-2776 Screening compound: N-(3-{[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}phenyl)acetamide
4052-2776 Screening compound: N-(3-{[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-2776
N-(3-{[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}phenyl)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

4052-2776

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

N-(3-{[5-(3,4-dimethylphenyl)thieno[2,3-d]pyrimidin-4-yl]oxy}phenyl)acetamide

IUPAC name

N-(3-{[5-(34-dimethylphenyl)thieno[23-d]pyrimidin-4-yl]oxy}phenyl)acetamide

SMILES

CC(Nc1cccc(Oc2c(c(-c3cc(C)c(C)cc3)cs3)c3ncn2)c1)=O

InChI

InChI=1S/C22H19N3O2S/c1-13-7-8-16(9-14(13)2)19-11-28-22-20(19)21(23-12-24-22)27-18-6-4-5-17(10-18)25-15(3)26/h4-12H,1-3H3,(H,25,26)

InChI Key

YBSOARPGHRKYCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02329239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.383

Distribution Coefficient, logD

5.383

Water Solubility, LogSw

-5.62

Polar Surface Area

51.649

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

4052-2776 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4052-2776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-2776?
Check Price and Availability of 4052-2776, 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 4052-2776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-2776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-2776
  • 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 4052-2776 available by request