C163-0336 Screening compound: N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

C163-0336 Screening compound: N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide
C163-0336 Screening compound: N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C163-0336
N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-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

C163-0336

Molecular Formula

C24H25N5O6 (C24 H25 N5 O6)

Compound Name

N-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

IUPAC name

N-[3-(23-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]-4-(35-dimethyl-4-nitro-1H-pyrazol-1-yl)butanamide

SMILES

Cc(n(CCCC(Nc1cc([N+]([O-])=O)cc(Oc2cc(CCC3)c3cc2)c1)=O)nc1C)c1[N+]([O-])=O

InChI

InChI=1S/C24H25N5O6/c1-15-24(29(33)34)16(2)27(26-15)10-4-7-23(30)25-19-12-20(28(31)32)14-22(13-19)35-21-9-8-17-5-3-6-18(17)11-21/h8-9,11-14H,3-7,10H2,1-2H3,(H,25,30)

InChI Key

FYTHCEORQKLFJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

4.068

Water Solubility, LogSw

-4.21

Polar Surface Area

110.843

Acid Dissociation Constant (pKa)

9.48

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with C163-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C163-0336?
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What is the minimum amount of C163-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C163-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C163-0336
  • 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 C163-0336 available by request