M040-0608 Screening compound: 3-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-2H-chromen-2-one

M040-0608 Screening compound: 3-[2-({3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-1,3-thiazol-4-yl]-2H-chromen-2-one
M040-0608 Screening compound: 3-[2-({3-[4-(trifluoromethyl)phenyl]-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 M040-0608
3-[2-({3-[4-(trifluoromethyl)phenyl]-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

M040-0608

Molecular Formula

C22H12F3N3O3S (C22 H12 F3 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C1Oc(cccc2)c2C=C1c1csc(Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)n1

InChI

InChI=1S/C22H12F3N3O3S/c23-22(24,25)14-7-5-12(6-8-14)20-27-18(31-28-20)10-19-26-16(11-32-19)15-9-13-3-1-2-4-17(13)30-21(15)29/h1-9,11H,10H2

InChI Key

UDTTZLVNQHXXPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.827

Water Solubility, LogSw

-6.13

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

9.10

M040-0608 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M040-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M040-0608?
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What is the minimum amount of M040-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M040-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M040-0608
  • 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 M040-0608 available by request