8019-5201 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

8019-5201 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
8019-5201 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5201
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

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

8019-5201

Molecular Formula

C17H16ClN5O4 (C17 H16 ClN5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[(4-chloro-35-dimethyl-1H-pyrazol-1-yl)methyl]-124-oxadiazole-5-carboxamide

SMILES

Cc(n(Cc1noc(C(NCc(cc2)cc3c2OCO3)=O)n1)nc1C)c1Cl

InChI

InChI=1S/C17H16ClN5O4/c1-9-15(18)10(2)23(21-9)7-14-20-17(27-22-14)16(24)19-6-11-3-4-12-13(5-11)26-8-25-12/h3-5H,6-8H2,1-2H3,(H,19,24)

InChI Key

IXYWDZQQTCETHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08092792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-3.18

Polar Surface Area

88.988

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

8019-5201 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-5201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5201?
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What is the minimum amount of 8019-5201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5201
  • 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 8019-5201 available by request