S021-2270 Screening compound: 6-({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

S021-2270 Screening compound: 6-({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
S021-2270 Screening compound: 6-({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)-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 S021-2270
6-({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)-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

S021-2270

Molecular Formula

C26H23N5O4 (C26 H23 N5 O4)

Compound Name

6-({5-[(3,5-dimethyl-4-isoxazolyl)methyl]-2-furyl}carbonyl)-2-phenyl-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one

IUPAC name

12-{5-[(35-dimethyl-12-oxazol-4-yl)methyl]furan-2-carbonyl}-5-phenyl-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-trien-8-one

SMILES

Cc1noc(C)c1Cc1ccc(C(N(CC2)CC(N=C3N4NC(c5ccccc5)=C3)=C2C4=O)=O)o1

InChI

InChI=1S/C26H23N5O4/c1-15-20(16(2)35-29-15)12-18-8-9-23(34-18)26(33)30-11-10-19-22(14-30)27-24-13-21(28-31(24)25(19)32)17-6-4-3-5-7-17/h3-9,13,28H,10-12,14H2,1-2H3

InChI Key

JHAUXINTCBHICN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.783

Distribution Coefficient, logD

2.783

Water Solubility, LogSw

-3.22

Polar Surface Area

86.402

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

S021-2270 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S021-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-2270?
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What is the minimum amount of S021-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-2270
  • 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 S021-2270 available by request