M040-0448 Screening compound: 5-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

M040-0448 Screening compound: 5-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole
M040-0448 Screening compound: 5-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0448
5-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

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

M040-0448

Molecular Formula

C21H18BrN3O2S (C21 H18 BrN3 O2 S)

Compound Name

5-{[4-(4-bromophenyl)-1,3-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-1,2,4-oxadiazole

IUPAC name

5-{[4-(4-bromophenyl)-13-thiazol-2-yl]methyl}-3-(4-propoxyphenyl)-124-oxadiazole

SMILES

CCCOc(cc1)ccc1-c1noc(Cc2nc(-c(cc3)ccc3Br)cs2)n1

InChI

InChI=1S/C21H18BrN3O2S/c1-2-11-26-17-9-5-15(6-10-17)21-24-19(27-25-21)12-20-23-18(13-28-20)14-3-7-16(22)8-4-14/h3-10,13H,2,11-12H2,1H3

InChI Key

MDJXANPHHJEALB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.311

Distribution Coefficient, logD

7.311

Water Solubility, LogSw

-5.88

Polar Surface Area

48.957

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

M040-0448 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M040-0448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0448?
Check Price and Availability of M040-0448, 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 M040-0448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0448
  • 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 M040-0448 available by request