M769-1052 Screening compound: N-{2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide

M769-1052 Screening compound: N-{2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide
M769-1052 Screening compound: N-{2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M769-1052
N-{2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide

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

M769-1052

Molecular Formula

C23H21F3N4O2 (C23 H21 F3 N4 O2)

Compound Name

N-{2-[5-(3,5-dimethyl-1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide

IUPAC name

N-{2-[5-(35-dimethyl-1H-indol-2-yl)-124-oxadiazol-3-yl]ethyl}-N-methyl-4-(trifluoromethyl)benzamide

SMILES

Cc1c(-c2nc(CCN(C)C(c3ccc(C(F)(F)F)cc3)=O)no2)[nH]c2c1cc(C)cc2

InChI

InChI=1S/C23H21F3N4O2/c1-13-4-9-18-17(12-13)14(2)20(27-18)21-28-19(29-32-21)10-11-30(3)22(31)15-5-7-16(8-6-15)23(24,25)26/h4-9,12,27H,10-11H2,1-3H3

InChI Key

SYTGQGKDRREJFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.32

Polar Surface Area

59.155

Acid Dissociation Constant (pKa)

17.71

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

M769-1052 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with M769-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M769-1052?
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What is the minimum amount of M769-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M769-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M769-1052
  • 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 M769-1052 available by request