8018-5799 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-3,4,5-trimethoxybenzamide

8018-5799 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-3,4,5-trimethoxybenzamide
8018-5799 Screening compound: N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5799
N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-3,4,5-trimethoxybenzamide

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

8018-5799

Molecular Formula

C19H21BrN6O6 (C19 H21 BrN6 O6)

Compound Name

N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl}formamido)ethyl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]-124-oxadiazol-5-yl}formamido)ethyl]-345-trimethoxybenzamide

SMILES

COc1cc(C(NCCNC(c2nc(Cn3ncc(Br)c3)no2)=O)=O)cc(OC)c1OC

InChI

InChI=1S/C19H21BrN6O6/c1-29-13-6-11(7-14(30-2)16(13)31-3)17(27)21-4-5-22-18(28)19-24-15(25-32-19)10-26-9-12(20)8-23-26/h6-9H,4-5,10H2,1-3H3,(H,21,27)(H,22,28)

InChI Key

JEDJVFPWQHUISM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.32

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.439

Distribution Coefficient, logD

0.439

Water Solubility, LogSw

-1.71

Polar Surface Area

119.443

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

8018-5799 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8018-5799 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5799?
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What is the minimum amount of 8018-5799 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5799
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5799
  • 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 8018-5799 available by request