S021-2294 Screening compound: 6-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-2294 Screening compound: 6-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-2294 Screening compound: 6-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-2294
6-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

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

S021-2294

Molecular Formula

C26H23N5O2S (C26 H23 N5 O2 S)

Compound Name

6-[4-(1,3-benzothiazol-2-yl)butanoyl]-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-[4-(13-benzothiazol-2-yl)butanoyl]-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

O=C(CCCc1nc(cccc2)c2s1)N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O

InChI

InChI=1S/C26H23N5O2S/c32-25(12-6-11-24-28-19-9-4-5-10-22(19)34-24)30-14-13-18-21(16-30)27-23-15-20(29-31(23)26(18)33)17-7-2-1-3-8-17/h1-5,7-10,15,29H,6,11-14,16H2

InChI Key

YAVWGANMQVWHPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.72

Polar Surface Area

66.482

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

S021-2294 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S021-2294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-2294?
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What is the minimum amount of S021-2294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-2294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-2294
  • 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 S021-2294 available by request