4204-0028 Screening compound: N-[9,10-dioxo-4-(pyrrolidin-1-yl)-9,10-dihydroanthracen-1-yl]-N-methylacetamide

4204-0028 Screening compound: N-[9,10-dioxo-4-(pyrrolidin-1-yl)-9,10-dihydroanthracen-1-yl]-N-methylacetamide
4204-0028 Screening compound: N-[9,10-dioxo-4-(pyrrolidin-1-yl)-9,10-dihydroanthracen-1-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4204-0028
N-[9,10-dioxo-4-(pyrrolidin-1-yl)-9,10-dihydroanthracen-1-yl]-N-methylacetamide

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

4204-0028

Molecular Formula

C21H20N2O3 (C21 H20 N2 O3)

Compound Name

N-[9,10-dioxo-4-(pyrrolidin-1-yl)-9,10-dihydroanthracen-1-yl]-N-methylacetamide

IUPAC name

N-[910-dioxo-4-(pyrrolidin-1-yl)-910-dihydroanthracen-1-yl]-N-methylacetamide

SMILES

CC(N(C)c(c(C(c1c2cccc1)=O)c1C2=O)ccc1N1CCCC1)=O

InChI

InChI=1S/C21H20N2O3/c1-13(24)22(2)16-9-10-17(23-11-5-6-12-23)19-18(16)20(25)14-7-3-4-8-15(14)21(19)26/h3-4,7-10H,5-6,11-12H2,1-2H3

InChI Key

NKSOBBCSDBCLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14709556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.407

Water Solubility, LogSw

-4.08

Polar Surface Area

45.505

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

4204-0028 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Endocrine
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4204-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4204-0028?
Check Price and Availability of 4204-0028, 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 4204-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4204-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4204-0028
  • 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 4204-0028 available by request