2786-4551 Screening compound: (4-methoxyphenyl)methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2786-4551 Screening compound: (4-methoxyphenyl)methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2786-4551 Screening compound: (4-methoxyphenyl)methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4551
(4-methoxyphenyl)methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-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

2786-4551

Molecular Formula

C26H24ClNO6 (C26 H24 ClNO6)

Compound Name

(4-methoxyphenyl)methyl 4-(6-chloro-2H-1,3-benzodioxol-5-yl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

(4-methoxyphenyl)methyl 4-(6-chloro-2H-13-benzodioxol-5-yl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CCC1)=C(C2c(cc3OCOc3c3)c3Cl)C1=O)=C2C(OCc(cc1)ccc1OC)=O

InChI

InChI=1S/C26H24ClNO6/c1-14-23(26(30)32-12-15-6-8-16(31-2)9-7-15)24(25-19(28-14)4-3-5-20(25)29)17-10-21-22(11-18(17)27)34-13-33-21/h6-11,24,28H,3-5,12-13H2,1-2H3/t24-/m0/s1

InChI Key

DGULTXHEKTXOBO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD01823672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.858

Distribution Coefficient, logD

1.383

Water Solubility, LogSw

-4.96

Polar Surface Area

69.438

Acid Dissociation Constant (pKa)

3.92

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 2786-4551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4551?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4551
  • 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 2786-4551 available by request