1890-0235 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

1890-0235 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide
1890-0235 Screening compound: N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1890-0235
N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

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

1890-0235

Molecular Formula

C26H23N5O8 (C26 H23 N5 O8)

Compound Name

N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

IUPAC name

N-{4-[3-(4-ethoxyphenoxy)-5-nitrophenoxy]phenyl}-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide

SMILES

CCOc(cc1)ccc1Oc1cc(Oc(cc2)ccc2NC(Cn(c(C)c2)nc2[N+]([O-])=O)=O)cc([N+]([O-])=O)c1

InChI

InChI=1S/C26H23N5O8/c1-3-37-20-8-10-22(11-9-20)39-24-14-19(30(33)34)13-23(15-24)38-21-6-4-18(5-7-21)27-26(32)16-29-17(2)12-25(28-29)31(35)36/h4-15H,3,16H2,1-2H3,(H,27,32)

InChI Key

AQYJVUOKRDHCOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00291757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

5.148

Distribution Coefficient, logD

5.148

Water Solubility, LogSw

-4.95

Polar Surface Area

124.162

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 1890-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1890-0235?
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What is the minimum amount of 1890-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1890-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1890-0235
  • 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 1890-0235 available by request