2360-0527 Screening compound: methyl 2-chloro-5-(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)benzoate

2360-0527 Screening compound: methyl 2-chloro-5-(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)benzoate
2360-0527 Screening compound: methyl 2-chloro-5-(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)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2360-0527
methyl 2-chloro-5-(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)benzoate

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

2360-0527

Molecular Formula

C26H18ClNO4 (C26 H18 ClNO4)

Compound Name

methyl 2-chloro-5-(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)benzoate

IUPAC name

methyl 2-chloro-5-{1618-dioxo-17-azapentacyclo[6.6.5.0^{27}.0^{914}.0^{1519}]nonadeca-24691113-hexaen-17-yl}benzoate

SMILES

COC(c(cc(cc1)N(C(C(C2C3c4c5cccc4)C5c4c3cccc4)=O)C2=O)c1Cl)=O

InChI

InChI=1S/C26H18ClNO4/c1-32-26(31)18-12-13(10-11-19(18)27)28-24(29)22-20-14-6-2-3-7-15(14)21(23(22)25(28)30)17-9-5-4-8-16(17)20/h2-12,20-23H,1H3

InChI Key

NWYAFNXZIXYAFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02084456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

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

4.110

Distribution Coefficient, logD

4.110

Water Solubility, LogSw

-4.54

Polar Surface Area

49.623

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-9.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with 2360-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2360-0527?
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What is the minimum amount of 2360-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2360-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2360-0527
  • 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 2360-0527 available by request