M769-0087 Screening compound: 4-cyano-N-{2-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methylbenzamide

M769-0087 Screening compound: 4-cyano-N-{2-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methylbenzamide
M769-0087 Screening compound: 4-cyano-N-{2-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M769-0087
4-cyano-N-{2-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methylbenzamide

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

M769-0087

Molecular Formula

C21H17N5O2 (C21 H17 N5 O2)

Compound Name

4-cyano-N-{2-[5-(1H-indol-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-N-methylbenzamide

IUPAC name

4-cyano-N-{2-[5-(1H-indol-2-yl)-124-oxadiazol-3-yl]ethyl}-N-methylbenzamide

SMILES

CN(CCc1noc(-c2cc(cccc3)c3[nH]2)n1)C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C21H17N5O2/c1-26(21(27)15-8-6-14(13-22)7-9-15)11-10-19-24-20(28-25-19)18-12-16-4-2-3-5-17(16)23-18/h2-9,12,23H,10-11H2,1H3

InChI Key

VZYQAPZGZVRQRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27553335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.237

Distribution Coefficient, logD

3.237

Water Solubility, LogSw

-3.51

Polar Surface Area

75.440

Acid Dissociation Constant (pKa)

17.03

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M769-0087 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M769-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M769-0087?
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What is the minimum amount of M769-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M769-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M769-0087
  • 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 M769-0087 available by request