1786-0135 Screening compound: 3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide

1786-0135 Screening compound: 3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide
1786-0135 Screening compound: 3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1786-0135
3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide

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

1786-0135

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide

IUPAC name

3-methyl-4-nitro-N-[(pyridin-3-yl)methyl]benzamide

SMILES

Cc(cc(cc1)C(NCc2cnccc2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H13N3O3/c1-10-7-12(4-5-13(10)17(19)20)14(18)16-9-11-3-2-6-15-8-11/h2-8H,9H2,1H3,(H,16,18)

InChI Key

GZOHMXVSEIUWAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01077706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.877

Distribution Coefficient, logD

1.877

Water Solubility, LogSw

-1.81

Polar Surface Area

67.250

Acid Dissociation Constant (pKa)

11.78

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

1786-0135 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1786-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1786-0135?
Check Price and Availability of 1786-0135, 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 1786-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1786-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1786-0135
  • 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 1786-0135 available by request