S466-0122 Screening compound: 2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

S466-0122 Screening compound: 2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide
S466-0122 Screening compound: 2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0122
2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

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

S466-0122

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)-N~1~-(3,4,5-trimethoxyphenyl)acetamide

IUPAC name

2-{5-methyl-2-oxo-148-triazatricyclo[7.3.0.0^{37}]dodeca-3(7)58-trien-4-yl}-N-(345-trimethoxyphenyl)acetamide

SMILES

Cc1cc(N=C(CCC2)N2C2=O)c2n1CC(Nc(cc1OC)cc(OC)c1OC)=O

InChI

InChI=1S/C21H24N4O5/c1-12-8-14-19(21(27)24-7-5-6-17(24)23-14)25(12)11-18(26)22-13-9-15(28-2)20(30-4)16(10-13)29-3/h8-10H,5-7,11H2,1-4H3,(H,22,26)

InChI Key

DALCYEUTPBDYKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.134

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.22

Polar Surface Area

74.444

Acid Dissociation Constant (pKa)

10.06

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

S466-0122 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S466-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0122?
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What is the minimum amount of S466-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0122
  • 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 S466-0122 available by request