2360-0425 Screening compound: 17-(5-chloro-2-methylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

2360-0425 Screening compound: 17-(5-chloro-2-methylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
2360-0425 Screening compound: 17-(5-chloro-2-methylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0425
17-(5-chloro-2-methylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

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

2360-0425

Molecular Formula

C27H22ClNO2 (C27 H22 ClNO2)

Compound Name

17-(5-chloro-2-methylphenyl)-1,8-dimethyl-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione

IUPAC name

17-(5-chloro-2-methylphenyl)-18-dimethyl-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaene-1618-dione

SMILES

CC(C(C(C12C)C(N3c4c(C)ccc(Cl)c4)=O)C3=O)(c3c2cccc3)c2c1cccc2

InChI

InChI=1S/C27H22ClNO2/c1-15-12-13-16(28)14-21(15)29-24(30)22-23(25(29)31)27(3)19-10-6-4-8-17(19)26(22,2)18-9-5-7-11-20(18)27/h4-14,22-23H,1-3H3

InChI Key

XNNGEGFUCHDQSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460774

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.987

Distribution Coefficient, logD

4.987

Water Solubility, LogSw

-4.98

Polar Surface Area

28.149

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-8.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with 2360-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0425?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0425
  • 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 2360-0425 available by request