M007-0029 Screening compound: 5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

M007-0029 Screening compound: 5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
M007-0029 Screening compound: 5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound M007-0029
5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-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

M007-0029

Molecular Formula

C23H17F3N6O3 (C23 H17 F3 N6 O3)

Compound Name

5-{5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1H-1,2,3-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole

IUPAC name

5-{5-methyl-1-[(5-methyl-2-phenyl-13-oxazol-4-yl)methyl]-1H-123-triazol-4-yl}-3-[4-(trifluoromethoxy)phenyl]-124-oxadiazole

SMILES

Cc1c(-c2nc(-c(cc3)ccc3OC(F)(F)F)no2)nnn1Cc1c(C)oc(-c2ccccc2)n1

InChI

InChI=1S/C23H17F3N6O3/c1-13-19(22-28-20(30-35-22)15-8-10-17(11-9-15)34-23(24,25)26)29-31-32(13)12-18-14(2)33-21(27-18)16-6-4-3-5-7-16/h3-11H,12H2,1-2H3

InChI Key

CHJFGKFOVCSTGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.315

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.51

Polar Surface Area

82.410

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

M007-0029 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M007-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M007-0029?
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What is the minimum amount of M007-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M007-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M007-0029
  • 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 M007-0029 available by request