8011-2291 Screening compound: 4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate

8011-2291 Screening compound: 4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate
8011-2291 Screening compound: 4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2291
4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate

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

8011-2291

Molecular Formula

C16H14N2O5 (C16 H14 N2 O5)

Compound Name

4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate

IUPAC name

4-[(2-methyl-3-nitrophenyl)carbamoyl]phenyl acetate

SMILES

CC(Oc(cc1)ccc1C(Nc1cccc([N+]([O-])=O)c1C)=O)=O

InChI

InChI=1S/C16H14N2O5/c1-10-14(4-3-5-15(10)18(21)22)17-16(20)12-6-8-13(9-7-12)23-11(2)19/h3-9H,1-2H3,(H,17,20)

InChI Key

HGILCKQGSQIXOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01974597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.636

Distribution Coefficient, logD

2.612

Water Solubility, LogSw

-3.09

Polar Surface Area

76.463

Acid Dissociation Constant (pKa)

8.65

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8011-2291 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 8011-2291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2291?
Check Price and Availability of 8011-2291, 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 8011-2291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2291
  • 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 8011-2291 available by request