4789-3528 Screening compound: 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid

4789-3528 Screening compound: 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid
4789-3528 Screening compound: 3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3528
3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid

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

4789-3528

Molecular Formula

C20H15N3O2S (C20 H15 N3 O2 S)

Compound Name

3-{[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}benzoic acid

IUPAC name

3-{[5-(4-methylphenyl)thieno[23-d]pyrimidin-4-yl]amino}benzoic acid

SMILES

Cc(cc1)ccc1-c1csc2ncnc(Nc3cc(C(O)=O)ccc3)c12

InChI

InChI=1S/C20H15N3O2S/c1-12-5-7-13(8-6-12)16-10-26-19-17(16)18(21-11-22-19)23-15-4-2-3-14(9-15)20(24)25/h2-11H,1H3,(H,24,25)(H,21,22,23)

InChI Key

JXCJXVPOZXENNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.747

Distribution Coefficient, logD

2.452

Water Solubility, LogSw

-5.61

Polar Surface Area

58.842

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

4789-3528 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Nuclear receptors
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 4789-3528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3528?
Check Price and Availability of 4789-3528, 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 4789-3528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3528
  • 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 4789-3528 available by request