D237-0171 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutanamide

D237-0171 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutanamide
D237-0171 Screening compound: 4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D237-0171
4-[3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-ethylbutanamide

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

D237-0171

Molecular Formula

C17H22BrN3O4 (C17 H22 BrN3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCNC(CCCc1nc(-c(cc2OCC)cc(Br)c2OC)no1)=O

InChI

InChI=1S/C17H22BrN3O4/c1-4-19-14(22)7-6-8-15-20-17(21-25-15)11-9-12(18)16(23-3)13(10-11)24-5-2/h9-10H,4-8H2,1-3H3,(H,19,22)

InChI Key

XIGCUWYQHDRGIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08111572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.28

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

2.960

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.24

Polar Surface Area

70.606

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D237-0171 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D237-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D237-0171?
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What is the minimum amount of D237-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D237-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D237-0171
  • 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 D237-0171 available by request