S466-0060 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)acetamide

S466-0060 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)acetamide
S466-0060 Screening compound: N~1~-(4-bromo-2-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S466-0060
N~1~-(4-bromo-2-fluorophenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)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

S466-0060

Molecular Formula

C18H16BrFN4O2 (C18 H16 BrFN4 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(N=C(CCC2)N2C2=O)c2n1CC(Nc(ccc(Br)c1)c1F)=O

InChI

InChI=1S/C18H16BrFN4O2/c1-10-7-14-17(18(26)23-6-2-3-15(23)21-14)24(10)9-16(25)22-13-5-4-11(19)8-12(13)20/h4-5,7-8H,2-3,6,9H2,1H3,(H,22,25)

InChI Key

SLOMHEMWJBUTIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.411

Water Solubility, LogSw

-2.93

Polar Surface Area

50.769

Acid Dissociation Constant (pKa)

8.66

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

S466-0060 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S466-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0060?
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What is the minimum amount of S466-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0060
  • 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 S466-0060 available by request