0879-0310 Screening compound: ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

0879-0310 Screening compound: ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate
0879-0310 Screening compound: ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0879-0310
ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

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

0879-0310

Molecular Formula

C21H21Cl2NO3 (C21 H21 Cl2 NO3)

Compound Name

ethyl 4-(2,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-carboxylate

IUPAC name

ethyl 4-(24-dichlorophenyl)-277-trimethyl-5-oxo-5678-tetrahydroquinoline-3-carboxylate

SMILES

CCOC(c1c(C)nc(CC(C)(C)CC2=O)c2c1-c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C21H21Cl2NO3/c1-5-27-20(26)17-11(2)24-15-9-21(3,4)10-16(25)19(15)18(17)13-7-6-12(22)8-14(13)23/h6-8H,5,9-10H2,1-4H3

InChI Key

MXRADBXRFDCAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01104885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.277

Distribution Coefficient, logD

5.277

Water Solubility, LogSw

-6.01

Polar Surface Area

44.583

Acid Dissociation Constant (pKa)

21.49

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

0879-0310 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 0879-0310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0879-0310?
Check Price and Availability of 0879-0310, 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 0879-0310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0879-0310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0879-0310
  • 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 0879-0310 available by request