M040-1122 Screening compound: 3-(2-{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

M040-1122 Screening compound: 3-(2-{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one
M040-1122 Screening compound: 3-(2-{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound M040-1122
3-(2-{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-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

M040-1122

Molecular Formula

C23H16FN3O5S (C23 H16 FN3 O5 S)

Compound Name

3-(2-{[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1,3-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

IUPAC name

3-(2-{[3-(3-fluoro-4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-13-thiazol-4-yl)-8-methoxy-2H-chromen-2-one

SMILES

COc(ccc(-c1noc(Cc2nc(C3=Cc(cccc4OC)c4OC3=O)cs2)n1)c1)c1F

InChI

InChI=1S/C23H16FN3O5S/c1-29-17-7-6-13(9-15(17)24)22-26-19(32-27-22)10-20-25-16(11-33-20)14-8-12-4-3-5-18(30-2)21(12)31-23(14)28/h3-9,11H,10H2,1-2H3

InChI Key

QVRPEWZVPVZYNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.012

Distribution Coefficient, logD

5.012

Water Solubility, LogSw

-4.94

Polar Surface Area

77.406

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

M040-1122 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

KRAS-Targeted Library (16000 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M040-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-1122?
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What is the minimum amount of M040-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-1122
  • 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 M040-1122 available by request