S021-1141 Screening compound: methyl 3-methyl-2-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)butanoate

S021-1141 Screening compound: methyl 3-methyl-2-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)butanoate
S021-1141 Screening compound: methyl 3-methyl-2-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S021-1141
methyl 3-methyl-2-({[9-oxo-2-phenyl-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-6(1H)-yl]carbonyl}amino)butanoate

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

S021-1141

Molecular Formula

C22H25N5O4 (C22 H25 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C(OC)=O)NC(N(CC1)CC(N=C2N3NC(c4ccccc4)=C2)=C1C3=O)=O

InChI

InChI=1S/C22H25N5O4/c1-13(2)19(21(29)31-3)24-22(30)26-10-9-15-17(12-26)23-18-11-16(25-27(18)20(15)28)14-7-5-4-6-8-14/h4-8,11,13,19,25H,9-10,12H2,1-3H3,(H,24,30)/t19-/m0/s1

InChI Key

LQZRURDKCCJDMT-IBGZPJMESA-N

MDL Number (MFCD)

MFCD29029337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.146

Distribution Coefficient, logD

2.146

Water Solubility, LogSw

-2.47

Polar Surface Area

87.734

Acid Dissociation Constant (pKa)

11.02

Base Dissociation Constant (pKb)

-0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

S021-1141 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S021-1141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S021-1141?
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What is the minimum amount of S021-1141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S021-1141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S021-1141
  • 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 S021-1141 available by request