2360-0245 Screening compound: 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]phenyl acetate

2360-0245 Screening compound: 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]phenyl acetate
2360-0245 Screening compound: 3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0245
3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]phenyl acetate

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

2360-0245

Molecular Formula

C20H19NO4 (C20 H19 NO4)

Compound Name

3-[10-(1-methylethylidene)-3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl]phenyl acetate

IUPAC name

3-[35-dioxo-10-(propan-2-ylidene)-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl]phenyl acetate

SMILES

CC(C)=C1C(C2C(N3c4cc(OC(C)=O)ccc4)=O)C=CC1C2C3=O

InChI

InChI=1S/C20H19NO4/c1-10(2)16-14-7-8-15(16)18-17(14)19(23)21(20(18)24)12-5-4-6-13(9-12)25-11(3)22/h4-9,14-15,17-18H,1-3H3

InChI Key

CXQNOOYZOVBXRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02217132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.803

Distribution Coefficient, logD

1.803

Water Solubility, LogSw

-2.09

Polar Surface Area

50.476

Acid Dissociation Constant (pKa)

15.57

Base Dissociation Constant (pKb)

-10.84

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

35.00

2360-0245 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2360-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0245?
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What is the minimum amount of 2360-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0245
  • 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 2360-0245 available by request