C660-0395 Screening compound: 2-bromo-4-methyl-N-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}aniline

C660-0395 Screening compound: 2-bromo-4-methyl-N-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}aniline
C660-0395 Screening compound: 2-bromo-4-methyl-N-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0395
2-bromo-4-methyl-N-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}aniline

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

C660-0395

Molecular Formula

C19H20BrN3O4 (C19 H20 BrN3 O4)

Compound Name

2-bromo-4-methyl-N-{[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}aniline

IUPAC name

2-bromo-4-methyl-N-{[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]methyl}aniline

SMILES

Cc(cc1)cc(Br)c1NCc1nc(-c(cc2OC)cc(OC)c2OC)no1

InChI

InChI=1S/C19H20BrN3O4/c1-11-5-6-14(13(20)7-11)21-10-17-22-19(23-27-17)12-8-15(24-2)18(26-4)16(9-12)25-3/h5-9,21H,10H2,1-4H3

InChI Key

QFXPHJBEKYNPDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780085

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.481

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.32

Polar Surface Area

64.096

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C660-0395 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C660-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0395?
Check Price and Availability of C660-0395, 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 C660-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0395
  • 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 C660-0395 available by request