G818-0046 Screening compound: 4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

G818-0046 Screening compound: 4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid
G818-0046 Screening compound: 4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound G818-0046
4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic 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

G818-0046

Molecular Formula

C20H21N3O2S (C20 H21 N3 O2 S)

Compound Name

4-(4-benzylpiperidin-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carboxylic acid

IUPAC name

4-(4-benzylpiperidin-1-yl)-5-methylthieno[23-d]pyrimidine-6-carboxylic acid

SMILES

Cc1c(C(O)=O)sc2ncnc(N3CCC(Cc4ccccc4)CC3)c12

InChI

InChI=1S/C20H21N3O2S/c1-13-16-18(21-12-22-19(16)26-17(13)20(24)25)23-9-7-15(8-10-23)11-14-5-3-2-4-6-14/h2-6,12,15H,7-11H2,1H3,(H,24,25)

InChI Key

RGRFRPZCPWWPSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11563973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.788

Distribution Coefficient, logD

0.517

Water Solubility, LogSw

-4.65

Polar Surface Area

52.675

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

G818-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G818-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G818-0046?
Check Price and Availability of G818-0046, 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 G818-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G818-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G818-0046
  • 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 G818-0046 available by request