P596-0029 Screening compound: N-{[3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

P596-0029 Screening compound: N-{[3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide
P596-0029 Screening compound: N-{[3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P596-0029
N-{[3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-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

P596-0029

Molecular Formula

C15H12N6O2S (C15 H12 N6 O2 S)

Compound Name

N-{[3-(1-methyl-1H-1,2,3-benzotriazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

IUPAC name

N-{[3-(1-methyl-1H-123-benzotriazol-6-yl)-124-oxadiazol-5-yl]methyl}thiophene-2-carboxamide

SMILES

Cn1nnc(cc2)c1cc2-c1noc(CNC(c2cccs2)=O)n1

InChI

InChI=1S/C15H12N6O2S/c1-21-11-7-9(4-5-10(11)18-20-21)14-17-13(23-19-14)8-16-15(22)12-3-2-6-24-12/h2-7H,8H2,1H3,(H,16,22)

InChI Key

VZTXRXSLPXLSPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.290

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-2.88

Polar Surface Area

82.997

Acid Dissociation Constant (pKa)

12.68

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

P596-0029 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P596-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P596-0029?
Check Price and Availability of P596-0029, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P596-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P596-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P596-0029
  • 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 P596-0029 available by request