1809-0337 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile

1809-0337 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile
1809-0337 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1809-0337
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]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

1809-0337

Molecular Formula

C18H15N5O2 (C18 H15 N5 O2)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enenitrile

SMILES

CN(C)c(ccc(/C=C(/c1nc(cccc2)c2[nH]1)\C#N)c1)c1[N+]([O-])=O

InChI

InChI=1S/C18H15N5O2/c1-22(2)16-8-7-12(10-17(16)23(24)25)9-13(11-19)18-20-14-5-3-4-6-15(14)21-18/h3-10H,1-2H3,(H,20,21)

InChI Key

MOGDYCZCSNYIAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00615249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.09

Polar Surface Area

71.899

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with 1809-0337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1809-0337?
Check Price and Availability of 1809-0337, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1809-0337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1809-0337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1809-0337
  • 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 1809-0337 available by request