M040-0426 Screening compound: 3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

M040-0426 Screening compound: 3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one
M040-0426 Screening compound: 3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-0426
3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

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

M040-0426

Molecular Formula

C21H12BrN3O3S (C21 H12 BrN3 O3 S)

Compound Name

3-(2-{[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

IUPAC name

3-(2-{[3-(4-bromophenyl)-124-oxadiazol-5-yl]methyl}-13-thiazol-4-yl)-2H-chromen-2-one

SMILES

O=C1Oc(cccc2)c2C=C1c1csc(Cc2nc(-c(cc3)ccc3Br)no2)n1

InChI

InChI=1S/C21H12BrN3O3S/c22-14-7-5-12(6-8-14)20-24-18(28-25-20)10-19-23-16(11-29-19)15-9-13-3-1-2-4-17(13)27-21(15)26/h1-9,11H,10H2

InChI Key

WWMWAYLWRHTYFG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-6.06

Polar Surface Area

62.461

Acid Dissociation Constant (pKa)

35.16

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

References: we are preparing a list of scientific research reports with M040-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0426?
Check Price and Availability of M040-0426, 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 M040-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0426
  • 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 M040-0426 available by request