2279-5345 Screening compound: 2-(13-DIOXO-23-DIHYDRO-1H-ISOINDOL-2-YL)-N-{4-METHOXY-8-OXATRICYCLO[7.4.0.0{27}]TRIDECA-1(13)2(7)35911-HEXAEN-5-YL}ACETAMIDE

2279-5345 Screening compound: 2-(13-DIOXO-23-DIHYDRO-1H-ISOINDOL-2-YL)-N-{4-METHOXY-8-OXATRICYCLO[7.4.0.0{27}]TRIDECA-1(13)2(7)35911-HEXAEN-5-YL}ACETAMIDE
2279-5345 Screening compound: 2-(13-DIOXO-23-DIHYDRO-1H-ISOINDOL-2-YL)-N-{4-METHOXY-8-OXATRICYCLO[7.4.0.0{27}]TRIDECA-1(13)2(7)35911-HEXAEN-5-YL}ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-5345
2-(13-DIOXO-23-DIHYDRO-1H-ISOINDOL-2-YL)-N-{4-METHOXY-8-OXATRICYCLO[7.4.0.0{27}]TRIDECA-1(13)2(7)35911-HEXAEN-5-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

2279-5345

Molecular Formula

C23H16N2O5 (C23 H16 N2 O5)

Compound Name

2-(13-DIOXO-23-DIHYDRO-1H-ISOINDOL-2-YL)-N-{4-METHOXY-8-OXATRICYCLO[7.4.0.0{27}]TRIDECA-1(13)2(7)35911-HEXAEN-5-YL}ACETAMIDE

IUPAC name

n/a

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(CN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C23H16N2O5/c1-29-20-10-16-13-6-4-5-9-18(13)30-19(16)11-17(20)24-21(26)12-25-22(27)14-7-2-3-8-15(14)23(25)28/h2-11H,12H2,1H3,(H,24,26)

InChI Key

YSPYLDQAXCRFIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01910922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

3.974

Water Solubility, LogSw

-4.11

Polar Surface Area

67.488

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

2279-5345 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2279-5345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-5345?
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What is the minimum amount of 2279-5345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-5345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-5345
  • 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 2279-5345 available by request