S324-0120 Screening compound: 1-[4-(phenethylamino)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl]-1-propanone

S324-0120 Screening compound: 1-[4-(phenethylamino)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl]-1-propanone
S324-0120 Screening compound: 1-[4-(phenethylamino)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S324-0120
1-[4-(phenethylamino)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl]-1-propanone

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

S324-0120

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

1-[4-(phenethylamino)-5,8-dihydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-7(6H)-yl]-1-propanone

IUPAC name

1-{3-[(2-phenylethyl)amino]-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-11-yl}propan-1-one

SMILES

CCC(N(CC1)Cc2c1c1c(NCCc3ccccc3)ncnc1s2)=O

InChI

InChI=1S/C20H22N4OS/c1-2-17(25)24-11-9-15-16(12-24)26-20-18(15)19(22-13-23-20)21-10-8-14-6-4-3-5-7-14/h3-7,13H,2,8-12H2,1H3,(H,21,22,23)

InChI Key

GYEOEVFPWBBHLA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28996439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.620

Water Solubility, LogSw

-4.03

Polar Surface Area

47.923

Acid Dissociation Constant (pKa)

16.62

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

S324-0120 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S324-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S324-0120?
Check Price and Availability of S324-0120, 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 S324-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S324-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S324-0120
  • 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 S324-0120 available by request