2513-0271 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide

2513-0271 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide
2513-0271 Screening compound: N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-0271
N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide

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

2513-0271

Molecular Formula

C22H12F3NO3 (C22 H12 F3 NO3)

Compound Name

N-(9,10-dioxo-9,10-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide

IUPAC name

N-(910-dioxo-910-dihydroanthracen-1-yl)-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cccc(C(F)(F)F)c1)Nc(cccc1C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C22H12F3NO3/c23-22(24,25)13-6-3-5-12(11-13)21(29)26-17-10-4-9-16-18(17)20(28)15-8-2-1-7-14(15)19(16)27/h1-11H,(H,26,29)

InChI Key

KEPHYBCLPKNTBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04406765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.339

Distribution Coefficient, logD

5.272

Water Solubility, LogSw

-5.89

Polar Surface Area

48.574

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 2513-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-0271?
Check Price and Availability of 2513-0271, 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 2513-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-0271
  • 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 2513-0271 available by request