6280-0820 Screening compound: 2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide

6280-0820 Screening compound: 2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide
6280-0820 Screening compound: 2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6280-0820
2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide

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

6280-0820

Molecular Formula

C27H26N4O3S (C27 H26 N4 O3 S)

Compound Name

2-{[8,8-dimethyl-3-(3-methylphenyl)-4-oxo-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenylacetamide

IUPAC name

2-{[1313-dimethyl-6-(3-methylphenyl)-7-oxo-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-13(8)49-tetraen-5-yl]sulfanyl}-N-phenylacetamide

SMILES

CC(C)(C1)OCc(cc2C(N3c4cc(C)ccc4)=O)c1nc2N=C3SCC(Nc1ccccc1)=O

InChI

InChI=1S/C27H26N4O3S/c1-17-8-7-11-20(12-17)31-25(33)21-13-18-15-34-27(2,3)14-22(18)29-24(21)30-26(31)35-16-23(32)28-19-9-5-4-6-10-19/h4-13H,14-16H2,1-3H3,(H,28,32)

InChI Key

CFORMKRFAONFPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03287224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.766

Distribution Coefficient, logD

4.765

Water Solubility, LogSw

-4.60

Polar Surface Area

66.619

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

6280-0820 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6280-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6280-0820?
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What is the minimum amount of 6280-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6280-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6280-0820
  • 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 6280-0820 available by request