D237-0188 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide

D237-0188 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide
D237-0188 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D237-0188
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide

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

D237-0188

Molecular Formula

C20H26BrN3O4 (C20 H26 BrN3 O4)

Compound Name

4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-cyclopentylbutanamide

IUPAC name

4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-124-oxadiazol-5-yl]-N-cyclopentylbutanamide

SMILES

CCOc1cc(-c2noc(CCCC(NC3CCCC3)=O)n2)cc(Br)c1OC

InChI

InChI=1S/C20H26BrN3O4/c1-3-27-16-12-13(11-15(21)19(16)26-2)20-23-18(28-24-20)10-6-9-17(25)22-14-7-4-5-8-14/h11-12,14H,3-10H2,1-2H3,(H,22,25)

InChI Key

FLMTXHMZVKFRID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.22

Polar Surface Area

70.800

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

D237-0188 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D237-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D237-0188?
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What is the minimum amount of D237-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D237-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D237-0188
  • 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 D237-0188 available by request