3607-5627 Screening compound: 2-(propan-2-yloxy)ethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3607-5627 Screening compound: 2-(propan-2-yloxy)ethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3607-5627 Screening compound: 2-(propan-2-yloxy)ethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3607-5627
2-(propan-2-yloxy)ethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-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

3607-5627

Molecular Formula

C26H35NO6 (C26 H35 NO6)

Compound Name

2-(propan-2-yloxy)ethyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

2-(propan-2-yloxy)ethyl 4-(24-dimethoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)OCCOC(C(C1c(ccc(OC)c2)c2OC)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C26H35NO6/c1-15(2)32-10-11-33-25(29)22-16(3)27-19-13-26(4,5)14-20(28)24(19)23(22)18-9-8-17(30-6)12-21(18)31-7/h8-9,12,15,23,27H,10-11,13-14H2,1-7H3/t23-/m0/s1

InChI Key

VZIVZUMLDUZGOP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02104431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.906

Distribution Coefficient, logD

-0.382

Water Solubility, LogSw

-4.24

Polar Surface Area

67.344

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

References: we are preparing a list of scientific research reports with 3607-5627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3607-5627?
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What is the minimum amount of 3607-5627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3607-5627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3607-5627
  • 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 3607-5627 available by request