1809-0270 Screening compound: (2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

1809-0270 Screening compound: (2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile
1809-0270 Screening compound: (2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0270
(2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-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

1809-0270

Molecular Formula

C17H12N4O3 (C17 H12 N4 O3)

Compound Name

(2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-1,3-benzodiazol-2-yl)prop-2-enenitrile

IUPAC name

(2E)-3-(2-hydroxy-5-nitrophenyl)-2-(5-methyl-1H-13-benzodiazol-2-yl)prop-2-enenitrile

SMILES

Cc(cc1)cc2c1[nH]c(/C(/C#N)=C/c(cc(cc1)[N+]([O-])=O)c1O)n2

InChI

InChI=1S/C17H12N4O3/c1-10-2-4-14-15(6-10)20-17(19-14)12(9-18)7-11-8-13(21(23)24)3-5-16(11)22/h2-8,22H,1H3,(H,19,20)

InChI Key

IXSKSSFZUGEMIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01239675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.759

Distribution Coefficient, logD

1.759

Water Solubility, LogSw

-3.70

Polar Surface Area

86.244

Acid Dissociation Constant (pKa)

5.40

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 1809-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0270?
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What is the minimum amount of 1809-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0270
  • 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 1809-0270 available by request