1921-2228 Screening compound: butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1921-2228 Screening compound: butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1921-2228 Screening compound: butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1921-2228
butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-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

1921-2228

Molecular Formula

C21H24ClNO3 (C21 H24 ClNO3)

Compound Name

butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butyl 4-(3-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c2cccc(Cl)c2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C21H24ClNO3/c1-3-4-11-26-21(25)18-13(2)23-16-9-6-10-17(24)20(16)19(18)14-7-5-8-15(22)12-14/h5,7-8,12,19,23H,3-4,6,9-11H2,1-2H3/t19-/m0/s1

InChI Key

OBKVITJNSSCOGK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00753175

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.88

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.799

Distribution Coefficient, logD

0.903

Water Solubility, LogSw

-4.82

Polar Surface Area

44.969

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 1921-2228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1921-2228?
Check Price and Availability of 1921-2228, 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 1921-2228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1921-2228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1921-2228
  • 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 1921-2228 available by request