C163-0553 Screening compound: N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

C163-0553 Screening compound: N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide
C163-0553 Screening compound: N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0553
N-[3-(4-methylphenoxy)-5-nitrophenyl]-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

C163-0553

Molecular Formula

C19H18N6O6 (C19 H18 N6 O6)

Compound Name

N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-1,2,4-triazol-1-yl)butanamide

IUPAC name

N-[3-(4-methylphenoxy)-5-nitrophenyl]-4-(3-nitro-1H-124-triazol-1-yl)butanamide

SMILES

Cc(cc1)ccc1Oc1cc(NC(CCCn(cn2)nc2[N+]([O-])=O)=O)cc([N+]([O-])=O)c1

InChI

InChI=1S/C19H18N6O6/c1-13-4-6-16(7-5-13)31-17-10-14(9-15(11-17)24(27)28)21-18(26)3-2-8-23-12-20-19(22-23)25(29)30/h4-7,9-12H,2-3,8H2,1H3,(H,21,26)

InChI Key

SVSJSDRVXGVXRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.39

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.964

Distribution Coefficient, logD

2.960

Water Solubility, LogSw

-3.55

Polar Surface Area

119.891

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with C163-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0553?
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What is the minimum amount of C163-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0553
  • 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 C163-0553 available by request