S466-0057 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)acetamide

S466-0057 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-(2-methyl-9-oxo-5,6,7,9-tetrahydro-1H-dipyrrolo[1,2-a:3,2-d]pyrimidin-1-yl)acetamide
S466-0057 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-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 S466-0057
N~1~-(3-chloro-4-methoxyphenyl)-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

S466-0057

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-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-(3-chloro-4-methoxyphenyl)-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(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C19H19ClN4O3/c1-11-8-14-18(19(26)23-7-3-4-16(23)22-14)24(11)10-17(25)21-12-5-6-15(27-2)13(20)9-12/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,25)

InChI Key

GIZSRRMOBYJZBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.25

Polar Surface Area

59.097

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

S466-0057 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S466-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S466-0057?
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What is the minimum amount of S466-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S466-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S466-0057
  • 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 S466-0057 available by request