0584-0640 Screening compound: 2-[(2-METHOXYPHENYL)CARBAMOYL]-5-NITROBENZOIC ACID

0584-0640 Screening compound: 2-[(2-METHOXYPHENYL)CARBAMOYL]-5-NITROBENZOIC ACID
0584-0640 Screening compound: 2-[(2-METHOXYPHENYL)CARBAMOYL]-5-NITROBENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 0584-0640
2-[(2-METHOXYPHENYL)CARBAMOYL]-5-NITROBENZOIC 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

0584-0640

Molecular Formula

C15H12N2O6 (C15 H12 N2 O6)

Compound Name

2-[(2-METHOXYPHENYL)CARBAMOYL]-5-NITROBENZOIC ACID

IUPAC name

n/a

SMILES

COc(cccc1)c1NC(c(ccc([N+]([O-])=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C15H12N2O6/c1-23-13-5-3-2-4-12(13)16-14(18)10-7-6-9(17(21)22)8-11(10)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)

InChI Key

JYBSLFSMYDFXSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00391870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.571

Distribution Coefficient, logD

-2.297

Water Solubility, LogSw

-3.08

Polar Surface Area

92.052

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 0584-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0584-0640?
Check Price and Availability of 0584-0640, 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 0584-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0584-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0584-0640
  • 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 0584-0640 available by request