8010-1881 Screening compound: (2Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile

8010-1881 Screening compound: (2Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile
8010-1881 Screening compound: (2Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1881
(2Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile

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

8010-1881

Molecular Formula

C15H17N3O5 (C15 H17 N3 O5)

Compound Name

(2Z)-2-(4,5-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile

IUPAC name

(2Z)-2-(45-dimethoxy-2-nitrophenyl)-3-(morpholin-4-yl)prop-2-enenitrile

SMILES

COc(c(OC)c1)cc(/C(/C#N)=C/N2CCOCC2)c1[N+]([O-])=O

InChI

InChI=1S/C15H17N3O5/c1-21-14-7-12(13(18(19)20)8-15(14)22-2)11(9-16)10-17-3-5-23-6-4-17/h7-8,10H,3-6H2,1-2H3

InChI Key

PNEBVCBMERHHSZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.044

Distribution Coefficient, logD

1.044

Water Solubility, LogSw

-1.96

Polar Surface Area

77.887

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with 8010-1881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1881?
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What is the minimum amount of 8010-1881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1881
  • 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 8010-1881 available by request