2360-0333 Screening compound: 4-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl acetate

2360-0333 Screening compound: 4-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl acetate
2360-0333 Screening compound: 4-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0333
4-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-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

2360-0333

Molecular Formula

C27H21NO4 (C27 H21 NO4)

Compound Name

4-(1-methyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)phenyl acetate

IUPAC name

4-{1-methyl-1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-17-yl}phenyl acetate

SMILES

CC(C(C(C12)C(N3c(cc4)ccc4OC(C)=O)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C27H21NO4/c1-15(29)32-17-13-11-16(12-14-17)28-25(30)23-22-18-7-3-5-9-20(18)27(2,24(23)26(28)31)21-10-6-4-8-19(21)22/h3-14,22-24H,1-2H3

InChI Key

VRNSZSMNQOUDOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142139

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.47

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

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.70

Polar Surface Area

49.201

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-6.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 2360-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0333?
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What is the minimum amount of 2360-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0333
  • 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 2360-0333 available by request