D247-0141 Screening compound: N-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide

D247-0141 Screening compound: N-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide
D247-0141 Screening compound: N-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D247-0141
N-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide

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

D247-0141

Molecular Formula

C21H23N3O5 (C21 H23 N3 O5)

Compound Name

N-{1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide

IUPAC name

N-{1-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]ethyl}-2-ethoxybenzamide

SMILES

CCOc(cccc1)c1C(NC(C)c1nc(-c(cc2)cc(OC)c2OC)no1)=O

InChI

InChI=1S/C21H23N3O5/c1-5-28-16-9-7-6-8-15(16)20(25)22-13(2)21-23-19(24-29-21)14-10-11-17(26-3)18(12-14)27-4/h6-13H,5H2,1-4H3,(H,22,25)/t13-/m0/s1

InChI Key

BUEFYEGVDLIHRY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07789775

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.978

Water Solubility, LogSw

-4.12

Polar Surface Area

77.963

Acid Dissociation Constant (pKa)

10.48

Base Dissociation Constant (pKb)

-4.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D247-0141 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 D247-0141 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D247-0141?
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What is the minimum amount of D247-0141 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D247-0141
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D247-0141
  • 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 D247-0141 available by request