C749-0088 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}benzoate

C749-0088 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}benzoate
C749-0088 Screening compound: ethyl 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C749-0088
ethyl 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}benzoate

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

C749-0088

Molecular Formula

C18H17N3O4 (C18 H17 N3 O4)

Compound Name

ethyl 2-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino}benzoate

IUPAC name

ethyl 2-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]amino}benzoate

SMILES

CCOC(c(cccc1)c1Nc1nc(-c(cc2)ccc2OC)no1)=O

InChI

InChI=1S/C18H17N3O4/c1-3-24-17(22)14-6-4-5-7-15(14)19-18-20-16(21-25-18)12-8-10-13(23-2)11-9-12/h4-11H,3H2,1-2H3,(H,19,20,21)

InChI Key

QGZULOMPMLWIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965892

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.672

Distribution Coefficient, logD

4.672

Water Solubility, LogSw

-4.36

Polar Surface Area

69.741

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C749-0088 in Drug Discovery

Included in Screening Libraries

Proline Kinase Library (2105 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C749-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C749-0088?
Check Price and Availability of C749-0088, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C749-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C749-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C749-0088
  • 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 C749-0088 available by request