1630-1533 Screening compound: propan-2-yl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1533 Screening compound: propan-2-yl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1533 Screening compound: propan-2-yl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1533
propan-2-yl 4-(2-butoxyphenyl)-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

1630-1533

Molecular Formula

C26H35NO4 (C26 H35 NO4)

Compound Name

propan-2-yl 4-(2-butoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-(2-butoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOc1c(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OC(C)C)=O)cccc1

InChI

InChI=1S/C26H35NO4/c1-7-8-13-30-21-12-10-9-11-18(21)23-22(25(29)31-16(2)3)17(4)27-19-14-26(5,6)15-20(28)24(19)23/h9-12,16,23,27H,7-8,13-15H2,1-6H3/t23-/m0/s1

InChI Key

HCTLUVVPAJEIAS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00753229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.037

Distribution Coefficient, logD

1.750

Water Solubility, LogSw

-5.46

Polar Surface Area

51.858

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

1630-1533 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1630-1533 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1533?
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What is the minimum amount of 1630-1533 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1533
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1533
  • 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 1630-1533 available by request