P364-1005 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-1,3-thiazole-2-carboxamide

P364-1005 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-1,3-thiazole-2-carboxamide
P364-1005 Screening compound: 4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-1,3-thiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P364-1005
4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-1,3-thiazole-2-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

P364-1005

Molecular Formula

C19H13N5O4S (C19 H13 N5 O4 S)

Compound Name

4-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-1,3-thiazole-2-carboxamide

IUPAC name

4-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]-N-[(pyridin-3-yl)methyl]-13-thiazole-2-carboxamide

SMILES

O=C(c1nc(-c2nc(-c(cc3)cc4c3OCO4)no2)cs1)NCc1cnccc1

InChI

InChI=1S/C19H13N5O4S/c25-17(21-8-11-2-1-5-20-7-11)19-22-13(9-29-19)18-23-16(24-28-18)12-3-4-14-15(6-12)27-10-26-14/h1-7,9H,8,10H2,(H,21,25)

InChI Key

DBXHYELXNKJYJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27573741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.100

Distribution Coefficient, logD

3.100

Water Solubility, LogSw

-3.26

Polar Surface Area

92.696

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

P364-1005 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 P364-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P364-1005?
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What is the minimum amount of P364-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P364-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P364-1005
  • 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 P364-1005 available by request