4130-5129 Screening compound: 4,5-dimethoxy-2-nitro-N-(pyridin-3-yl)benzamide

4130-5129 Screening compound: 4,5-dimethoxy-2-nitro-N-(pyridin-3-yl)benzamide
4130-5129 Screening compound: 4,5-dimethoxy-2-nitro-N-(pyridin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5129
4,5-dimethoxy-2-nitro-N-(pyridin-3-yl)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

4130-5129

Molecular Formula

C14H13N3O5 (C14 H13 N3 O5)

Compound Name

4,5-dimethoxy-2-nitro-N-(pyridin-3-yl)benzamide

IUPAC name

45-dimethoxy-2-nitro-N-(pyridin-3-yl)benzamide

SMILES

COc(c(OC)c1)cc(C(Nc2cnccc2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H13N3O5/c1-21-12-6-10(11(17(19)20)7-13(12)22-2)14(18)16-9-4-3-5-15-8-9/h3-8H,1-2H3,(H,16,18)

InChI Key

PJFFQKGPQXYOIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02043936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.465

Distribution Coefficient, logD

1.459

Water Solubility, LogSw

-1.87

Polar Surface Area

81.189

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4130-5129 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4130-5129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5129?
Check Price and Availability of 4130-5129, 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 4130-5129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5129
  • 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 4130-5129 available by request