4789-4672 Screening compound: 6-bromo-2-methyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

4789-4672 Screening compound: 6-bromo-2-methyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol
4789-4672 Screening compound: 6-bromo-2-methyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4672
6-bromo-2-methyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

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

4789-4672

Molecular Formula

C21H27BrN2O (C21 H27 BrN2 O)

Compound Name

6-bromo-2-methyl-3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

IUPAC name

6-bromo-2-methyl-3-({133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}methyl)quinolin-4-ol

SMILES

CC1(C2)CC(C)(C)CC2N(Cc2c(C)nc(ccc(Br)c3)c3c2O)C1

InChI

InChI=1S/C21H27BrN2O/c1-13-17(19(25)16-7-14(22)5-6-18(16)23-13)10-24-12-21(4)9-15(24)8-20(2,3)11-21/h5-7,15H,8-12H2,1-4H3,(H,23,25)

InChI Key

UYIXMJFJLXYPIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968864

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

4.505

Water Solubility, LogSw

-4.99

Polar Surface Area

28.209

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.10

4789-4672 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4789-4672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4672?
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What is the minimum amount of 4789-4672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4672
  • 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 4789-4672 available by request