0828-0157 Screening compound: 1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid

0828-0157 Screening compound: 1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
0828-0157 Screening compound: 1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0828-0157
1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic 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

0828-0157

Molecular Formula

C16H11NO4 (C16 H11 NO4)

Compound Name

1-(methylamino)-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid

IUPAC name

1-(methylamino)-910-dioxo-910-dihydroanthracene-2-carboxylic acid

SMILES

CNc(c(C(O)=O)ccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C16H11NO4/c1-17-13-11(16(20)21)7-6-10-12(13)15(19)9-5-3-2-4-8(9)14(10)18/h2-7,17H,1H3,(H,20,21)

InChI Key

FNTSHBHJZQRXCT-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.790

Distribution Coefficient, logD

-1.760

Water Solubility, LogSw

-3.35

Polar Surface Area

63.849

Acid Dissociation Constant (pKa)

2.85

Base Dissociation Constant (pKb)

-4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

0828-0157 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0828-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0828-0157?
Check Price and Availability of 0828-0157, 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 0828-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0828-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0828-0157
  • 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 0828-0157 available by request