D679-0992 Screening compound: 3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D679-0992 Screening compound: 3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D679-0992 Screening compound: 3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D679-0992
3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}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

D679-0992

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

IUPAC name

3-cyano-4-methoxy-N-{[5-(2-methylpropyl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

CC(C)Cc1nc(CNC(c(cc2)cc(C#N)c2OC)=O)no1

InChI

InChI=1S/C16H18N4O3/c1-10(2)6-15-19-14(20-23-15)9-18-16(21)11-4-5-13(22-3)12(7-11)8-17/h4-5,7,10H,6,9H2,1-3H3,(H,18,21)

InChI Key

YVHTWMKIQHSXND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27596333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.375

Water Solubility, LogSw

-3.07

Polar Surface Area

81.943

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with D679-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D679-0992?
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What is the minimum amount of D679-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D679-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D679-0992
  • 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 D679-0992 available by request