S021-1461 Screening compound: methyl 2-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)acetate

S021-1461 Screening compound: methyl 2-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)acetate
S021-1461 Screening compound: methyl 2-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1461
methyl 2-({[2-(2-chlorophenyl)-9-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)acetate

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

S021-1461

Molecular Formula

C19H18ClN5O4 (C19 H18 ClN5 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(CNC(N(CC1)CC(N=C2N3NC(c(cccc4)c4Cl)=C2)=C1C3=O)=O)=O

InChI

InChI=1S/C19H18ClN5O4/c1-29-17(26)9-21-19(28)24-7-6-12-15(10-24)22-16-8-14(23-25(16)18(12)27)11-4-2-3-5-13(11)20/h2-5,8,23H,6-7,9-10H2,1H3,(H,21,28)

InChI Key

BWPXCJHJOAIQAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29029471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.002

Distribution Coefficient, logD

1.001

Water Solubility, LogSw

-2.92

Polar Surface Area

87.787

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

S021-1461 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S021-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1461?
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What is the minimum amount of S021-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1461
  • 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 S021-1461 available by request