M040-1082 Screening compound: 6-bromo-3-(2-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one

M040-1082 Screening compound: 6-bromo-3-(2-{[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-2H-chromen-2-one
M040-1082 Screening compound: 6-bromo-3-(2-{[3-(2-methoxyphenyl)-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 M040-1082
6-bromo-3-(2-{[3-(2-methoxyphenyl)-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

M040-1082

Molecular Formula

C22H14BrN3O4S (C22 H14 BrN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1)c1-c1noc(Cc2nc(C3=Cc(cc(cc4)Br)c4OC3=O)cs2)n1

InChI

InChI=1S/C22H14BrN3O4S/c1-28-18-5-3-2-4-14(18)21-25-19(30-26-21)10-20-24-16(11-31-20)15-9-12-8-13(23)6-7-17(12)29-22(15)27/h2-9,11H,10H2,1H3

InChI Key

BHVYSCXQIJZSAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20736437

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.16

Polar Surface Area

70.091

Acid Dissociation Constant (pKa)

32.38

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

M040-1082 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M040-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1082?
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What is the minimum amount of M040-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1082
  • 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 M040-1082 available by request