K783-3398 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

K783-3398 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid
K783-3398 Screening compound: 4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3398
4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

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

K783-3398

Molecular Formula

C15H20BrNO2 (C15 H20 BrNO2)

Compound Name

4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

IUPAC name

4-({[(3-bromophenyl)methyl]amino}methyl)cyclohexane-1-carboxylic acid

SMILES

OC(C1CCC(CNCc2cccc(Br)c2)CC1)=O

InChI

InChI=1S/C15H20BrNO2/c16-14-3-1-2-12(8-14)10-17-9-11-4-6-13(7-5-11)15(18)19/h1-3,8,11,13,17H,4-7,9-10H2,(H,18,19)

InChI Key

PPNJVLUGLDLXKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.065

Distribution Coefficient, logD

3.065

Water Solubility, LogSw

-3.12

Polar Surface Area

40.605

Acid Dissociation Constant (pKa)

4.84

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

K783-3398 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with K783-3398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3398?
Check Price and Availability of K783-3398, 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 K783-3398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3398
  • 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 K783-3398 available by request