5060-0364 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoate

5060-0364 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoate
5060-0364 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5060-0364
2-(4-chlorophenyl)-2-oxoethyl 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-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

5060-0364

Molecular Formula

C29H18ClNO5 (C29 H18 ClNO5)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 4-(5,7-dioxo-5,7-dihydro-6H-dibenzo[c,e]azepin-6-yl)benzoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 4-{810-dioxo-9-azatricyclo[9.4.0.0^{27}]pentadeca-1(11)2461214-hexaen-9-yl}benzoate

SMILES

O=C(COC(c(cc1)ccc1N(C(c(cccc1)c1-c1c2cccc1)=O)C2=O)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C29H18ClNO5/c30-20-13-9-18(10-14-20)26(32)17-36-29(35)19-11-15-21(16-12-19)31-27(33)24-7-3-1-5-22(24)23-6-2-4-8-25(23)28(31)34/h1-16H,17H2

InChI Key

FDWJRLDIWLBDBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03668149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.92

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.528

Distribution Coefficient, logD

4.528

Water Solubility, LogSw

-4.91

Polar Surface Area

62.678

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

5060-0364 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with 5060-0364 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5060-0364?
Check Price and Availability of 5060-0364, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5060-0364 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5060-0364
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5060-0364
  • 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 5060-0364 available by request