D400-0629 Screening compound: ethyl 4-{2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate

D400-0629 Screening compound: ethyl 4-{2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate
D400-0629 Screening compound: ethyl 4-{2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-0629
ethyl 4-{2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}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

D400-0629

Molecular Formula

C25H21N3O5 (C25 H21 N3 O5)

Compound Name

ethyl 4-{2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamido}benzoate

IUPAC name

ethyl 4-{2-[4-(3-phenyl-124-oxadiazol-5-yl)phenoxy]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(COc(cc1)ccc1-c1nc(-c2ccccc2)no1)=O)=O

InChI

InChI=1S/C25H21N3O5/c1-2-31-25(30)19-8-12-20(13-9-19)26-22(29)16-32-21-14-10-18(11-15-21)24-27-23(28-33-24)17-6-4-3-5-7-17/h3-15H,2,16H2,1H3,(H,26,29)

InChI Key

ALCCGPRFOSGVEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14826968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.574

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.56

Polar Surface Area

82.775

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D400-0629 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D400-0629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-0629?
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What is the minimum amount of D400-0629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-0629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-0629
  • 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 D400-0629 available by request