1630-1526 Screening compound: benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1526 Screening compound: benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1526 Screening compound: benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1526
benzyl 4-(4-ethoxy-3-methoxyphenyl)-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

1630-1526

Molecular Formula

C29H33NO5 (C29 H33 NO5)

Compound Name

benzyl 4-(4-ethoxy-3-methoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

benzyl 4-(4-ethoxy-3-methoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOc(ccc(C1C(C(CC(C)(C)C2)=O)=C2NC(C)=C1C(OCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C29H33NO5/c1-6-34-23-13-12-20(14-24(23)33-5)26-25(28(32)35-17-19-10-8-7-9-11-19)18(2)30-21-15-29(3,4)16-22(31)27(21)26/h7-14,26,30H,6,15-17H2,1-5H3/t26-/m0/s1

InChI Key

MNNSCQITPCOAHO-SANMLTNESA-N

MDL Number (MFCD)

MFCD00753318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

0.869

Water Solubility, LogSw

-4.98

Polar Surface Area

59.620

Acid Dissociation Constant (pKa)

3.37

Base Dissociation Constant (pKb)

-2.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.90

1630-1526 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-1526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1526?
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What is the minimum amount of 1630-1526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1526
  • 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 1630-1526 available by request