S021-1459 Screening compound: ethyl 3-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)propanoate

S021-1459 Screening compound: ethyl 3-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)propanoate
S021-1459 Screening compound: ethyl 3-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1459
ethyl 3-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)propanoate

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

S021-1459

Molecular Formula

C21H22ClN5O4 (C21 H22 ClN5 O4)

Compound Name

ethyl 3-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)propanoate

IUPAC name

ethyl 3-{[5-(2-chlorophenyl)-8-oxo-26712-tetraazatricyclo[7.4.0.0^{37}]trideca-1(9)24-triene-12-carbonyl]amino}propanoate

SMILES

CCOC(CCNC(N(CC1)CC(N=C2N3NC(c(cccc4)c4Cl)=C2)=C1C3=O)=O)=O

InChI

InChI=1S/C21H22ClN5O4/c1-2-31-19(28)7-9-23-21(30)26-10-8-14-17(12-26)24-18-11-16(25-27(18)20(14)29)13-5-3-4-6-15(13)22/h3-6,11,25H,2,7-10,12H2,1H3,(H,23,30)

InChI Key

IXABYPBDKZLYEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029470

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.820

Distribution Coefficient, logD

1.819

Water Solubility, LogSw

-3.10

Polar Surface Area

87.208

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S021-1459 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 S021-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1459?
Check Price and Availability of S021-1459, 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 S021-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1459
  • 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 S021-1459 available by request