C163-0462 Screening compound: N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

C163-0462 Screening compound: N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
C163-0462 Screening compound: N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0462
N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

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

C163-0462

Molecular Formula

C12H13N5O4 (C12 H13 N5 O4)

Compound Name

N-(3-hydroxyphenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

IUPAC name

N-(3-hydroxyphenyl)-4-(3-nitro-1H-124-triazol-1-yl)butanamide

SMILES

[O-][N+](c1nn(CCCC(Nc2cc(O)ccc2)=O)cn1)=O

InChI

InChI=1S/C12H13N5O4/c18-10-4-1-3-9(7-10)14-11(19)5-2-6-16-8-13-12(15-16)17(20)21/h1,3-4,7-8,18H,2,5-6H2,(H,14,19)

InChI Key

SEPNQLJSZWWRHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.059

Distribution Coefficient, logD

0.052

Water Solubility, LogSw

-1.95

Polar Surface Area

97.379

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C163-0462 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C163-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0462?
Check Price and Availability of C163-0462, 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 C163-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0462
  • 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 C163-0462 available by request