8018-5030 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

8018-5030 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
8018-5030 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5030
N-(4-bromo-2-fluorophenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

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

8018-5030

Molecular Formula

C18H15BrFN3O3 (C18 H15 BrFN3 O3)

Compound Name

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

IUPAC name

N-(4-bromo-2-fluorophenyl)-3-[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]propanamide

SMILES

COc(cc1)ccc1-c1noc(CCC(Nc(ccc(Br)c2)c2F)=O)n1

InChI

InChI=1S/C18H15BrFN3O3/c1-25-13-5-2-11(3-6-13)18-22-17(26-23-18)9-8-16(24)21-15-7-4-12(19)10-14(15)20/h2-7,10H,8-9H2,1H3,(H,21,24)

InChI Key

JORQTWJWHCOBGZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07620374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.351

Water Solubility, LogSw

-4.38

Polar Surface Area

61.305

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-5030 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 8018-5030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5030?
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What is the minimum amount of 8018-5030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5030
  • 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 8018-5030 available by request