0109-0105 Screening compound: N-(2-amino-4-nitrophenyl)-4-methylbenzamide

0109-0105 Screening compound: N-(2-amino-4-nitrophenyl)-4-methylbenzamide
0109-0105 Screening compound: N-(2-amino-4-nitrophenyl)-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0109-0105
N-(2-amino-4-nitrophenyl)-4-methylbenzamide

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

0109-0105

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

N-(2-amino-4-nitrophenyl)-4-methylbenzamide

IUPAC name

N-(2-amino-4-nitrophenyl)-4-methylbenzamide

SMILES

Cc(cc1)ccc1C(Nc(ccc([N+]([O-])=O)c1)c1N)=O

InChI

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

InChI Key

WBEADELMEFRRIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00429224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.702

Distribution Coefficient, logD

1.624

Water Solubility, LogSw

-3.27

Polar Surface Area

76.109

Acid Dissociation Constant (pKa)

6.36

Base Dissociation Constant (pKb)

0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0109-0105 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 0109-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0109-0105?
Check Price and Availability of 0109-0105, 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 0109-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0109-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0109-0105
  • 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 0109-0105 available by request