6136-0026 Screening compound: N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

6136-0026 Screening compound: N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide
6136-0026 Screening compound: N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6136-0026
N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

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

6136-0026

Molecular Formula

C19H20BrNO3 (C19 H20 BrNO3)

Compound Name

N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

IUPAC name

N-(4-bromophenyl)-4-(4-methoxyphenyl)oxane-4-carboxamide

SMILES

COc1ccc(C2(CCOCC2)C(Nc(cc2)ccc2Br)=O)cc1

InChI

InChI=1S/C19H20BrNO3/c1-23-17-8-2-14(3-9-17)19(10-12-24-13-11-19)18(22)21-16-6-4-15(20)5-7-16/h2-9H,10-13H2,1H3,(H,21,22)

InChI Key

NGSNZWCWUPSBJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03863256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.557

Distribution Coefficient, logD

4.553

Water Solubility, LogSw

-4.40

Polar Surface Area

38.703

Acid Dissociation Constant (pKa)

9.40

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

6136-0026 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 6136-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6136-0026?
Check Price and Availability of 6136-0026, 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 6136-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6136-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6136-0026
  • 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 6136-0026 available by request