1932-0001 Screening compound: cyclohexyl 4-(3-bromo-2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1932-0001 Screening compound: cyclohexyl 4-(3-bromo-2,5-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1932-0001 Screening compound: cyclohexyl 4-(3-bromo-2,5-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 1932-0001
cyclohexyl 4-(3-bromo-2,5-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

1932-0001

Molecular Formula

C27H34BrNO5 (C27 H34 BrNO5)

Compound Name

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

IUPAC name

cyclohexyl 4-(3-bromo-25-dimethoxyphenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(C)(C1)CC(NC(C)=C(C2c3cc(OC)cc(Br)c3OC)C(OC3CCCCC3)=O)=C2C1=O

InChI

InChI=1S/C27H34BrNO5/c1-15-22(26(31)34-16-9-7-6-8-10-16)23(18-11-17(32-4)12-19(28)25(18)33-5)24-20(29-15)13-27(2,3)14-21(24)30/h11-12,16,23,29H,6-10,13-14H2,1-5H3/t23-/m0/s1

InChI Key

MCGSYAHIKRKUBB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00717825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.399

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-5.47

Polar Surface Area

59.266

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

1932-0001 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1932-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1932-0001?
Check Price and Availability of 1932-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1932-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1932-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1932-0001
  • 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 1932-0001 available by request