0781-2372 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid

0781-2372 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid
0781-2372 Screening compound: 3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2372
3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid

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

0781-2372

Molecular Formula

C15H11N3O7 (C15 H11 N3 O7)

Compound Name

3-[(E)-[(2-hydroxy-3,5-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid

IUPAC name

3-[(E)-[(2-hydroxy-35-dinitrophenyl)methylidene]amino]-4-methylbenzoic acid

SMILES

Cc(ccc(C(O)=O)c1)c1/N=C/c1cc([N+]([O-])=O)cc([N+]([O-])=O)c1O

InChI

InChI=1S/C15H11N3O7/c1-8-2-3-9(15(20)21)5-12(8)16-7-10-4-11(17(22)23)6-13(14(10)19)18(24)25/h2-7,19H,1H3,(H,20,21)

InChI Key

ZUBNIWGXJCPOSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00579072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.27

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.740

Distribution Coefficient, logD

-1.087

Water Solubility, LogSw

-3.92

Polar Surface Area

118.017

Acid Dissociation Constant (pKa)

2.57

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0781-2372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2372?
Check Price and Availability of 0781-2372, 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 0781-2372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2372
  • 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 0781-2372 available by request