C163-0467 Screening compound: N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

C163-0467 Screening compound: N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
C163-0467 Screening compound: N-(2,4-difluorophenyl)-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0467
N-(2,4-difluorophenyl)-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

C163-0467

Molecular Formula

C12H11F2N5O3 (C12 H11 F2 N5 O3)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-4-(3-nitro-1H-124-triazol-1-yl)butanamide

SMILES

[O-][N+](c1nn(CCCC(Nc(ccc(F)c2)c2F)=O)cn1)=O

InChI

InChI=1S/C12H11F2N5O3/c13-8-3-4-10(9(14)6-8)16-11(20)2-1-5-18-7-15-12(17-18)19(21)22/h3-4,6-7H,1-2,5H2,(H,16,20)

InChI Key

FISCYDFQXDAOTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05031684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.592

Distribution Coefficient, logD

0.547

Water Solubility, LogSw

-2.24

Polar Surface Area

79.064

Acid Dissociation Constant (pKa)

8.37

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C163-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0467?
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What is the minimum amount of C163-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0467
  • 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 C163-0467 available by request