5868-0712 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine

5868-0712 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine
5868-0712 Screening compound: N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5868-0712
N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine

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

5868-0712

Molecular Formula

C19H24BrNO2S (C19 H24 BrNO2 S)

Compound Name

N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine

IUPAC name

N-({3-bromo-5-methoxy-4-[(thiophen-2-yl)methoxy]phenyl}methyl)cyclohexanamine

SMILES

COc1cc(CNC2CCCCC2)cc(Br)c1OCc1cccs1

InChI

InChI=1S/C19H24BrNO2S/c1-22-18-11-14(12-21-15-6-3-2-4-7-15)10-17(20)19(18)23-13-16-8-5-9-24-16/h5,8-11,15,21H,2-4,6-7,12-13H2,1H3

InChI Key

XLGNFBTVWOKHSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03698257

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

410.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.929

Distribution Coefficient, logD

1.300

Water Solubility, LogSw

-4.69

Polar Surface Area

27.570

Acid Dissociation Constant (pKa)

26.77

Base Dissociation Constant (pKb)

11.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

5868-0712 in Drug Discovery

Included in Screening Libraries

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

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5868-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5868-0712?
Check Price and Availability of 5868-0712, 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 5868-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5868-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5868-0712
  • 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 5868-0712 available by request