8018-9821 Screening compound: N-(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)-3,4-diethoxybenzamide

8018-9821 Screening compound: N-(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)-3,4-diethoxybenzamide
8018-9821 Screening compound: N-(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-9821
N-(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)-3,4-diethoxybenzamide

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

8018-9821

Molecular Formula

C20H21BrN4O6 (C20 H21 BrN4 O6)

Compound Name

N-(2-{[3-(5-bromofuran-2-yl)-1,2,4-oxadiazol-5-yl]formamido}ethyl)-3,4-diethoxybenzamide

IUPAC name

N-(2-{[3-(5-bromofuran-2-yl)-124-oxadiazol-5-yl]formamido}ethyl)-34-diethoxybenzamide

SMILES

CCOc(ccc(C(NCCNC(c1nc(-c(o2)ccc2Br)no1)=O)=O)c1)c1OCC

InChI

InChI=1S/C20H21BrN4O6/c1-3-28-13-6-5-12(11-15(13)29-4-2)18(26)22-9-10-23-19(27)20-24-17(25-31-20)14-7-8-16(21)30-14/h5-8,11H,3-4,9-10H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

HQXHOYIKLVVNPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09063466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.65

Polar Surface Area

104.043

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

-2.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8018-9821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-9821?
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What is the minimum amount of 8018-9821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-9821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-9821
  • 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 8018-9821 available by request