1630-1349 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1349 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1349 Screening compound: cyclohexyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1349
cyclohexyl 4-(4-ethylphenyl)-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

1630-1349

Molecular Formula

C27H35NO3 (C27 H35 NO3)

Compound Name

cyclohexyl 4-(4-ethylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

cyclohexyl 4-(4-ethylphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCc1ccc(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OC2CCCCC2)=O)cc1

InChI

InChI=1S/C27H35NO3/c1-5-18-11-13-19(14-12-18)24-23(26(30)31-20-9-7-6-8-10-20)17(2)28-21-15-27(3,4)16-22(29)25(21)24/h11-14,20,24,28H,5-10,15-16H2,1-4H3/t24-/m0/s1

InChI Key

RTUMXASYTRKGEX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD00717923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.313

Distribution Coefficient, logD

2.026

Water Solubility, LogSw

-5.52

Polar Surface Area

44.005

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

1630-1349 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 1630-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1349?
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What is the minimum amount of 1630-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1349
  • 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 1630-1349 available by request