4790-1116 Screening compound: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)benzoic acid

4790-1116 Screening compound: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)benzoic acid
4790-1116 Screening compound: 3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4790-1116
3-({5,6-dimethylthieno[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

4790-1116

Molecular Formula

C15H13N3O2S (C15 H13 N3 O2 S)

Compound Name

3-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}amino)benzoic acid

IUPAC name

3-({56-dimethylthieno[23-d]pyrimidin-4-yl}amino)benzoic acid

SMILES

Cc1c(C)sc2ncnc(Nc3cc(C(O)=O)ccc3)c12

InChI

InChI=1S/C15H13N3O2S/c1-8-9(2)21-14-12(8)13(16-7-17-14)18-11-5-3-4-10(6-11)15(19)20/h3-7H,1-2H3,(H,19,20)(H,16,17,18)

InChI Key

JVLAOJFMJWITIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03043287

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

1.044

Water Solubility, LogSw

-4.51

Polar Surface Area

59.113

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4790-1116 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

CNS Targets (44014 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4790-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4790-1116?
Check Price and Availability of 4790-1116, 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 4790-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4790-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4790-1116
  • 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 4790-1116 available by request