3814-0045 Screening compound: methyl 3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]propanoate

3814-0045 Screening compound: methyl 3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]propanoate
3814-0045 Screening compound: methyl 3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0045
methyl 3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]propanoate

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

3814-0045

Molecular Formula

C19H15NO5 (C19 H15 NO5)

Compound Name

methyl 3-[(9,10-dioxo-9,10-dihydroanthracen-1-yl)carbamoyl]propanoate

IUPAC name

methyl 3-[(910-dioxo-910-dihydroanthracen-1-yl)carbamoyl]propanoate

SMILES

COC(CCC(Nc(cccc1C(c2c3cccc2)=O)c1C3=O)=O)=O

InChI

InChI=1S/C19H15NO5/c1-25-16(22)10-9-15(21)20-14-8-4-7-13-17(14)19(24)12-6-3-2-5-11(12)18(13)23/h2-8H,9-10H2,1H3,(H,20,21)

InChI Key

YDZCQIMAACLIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00379820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.33

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.668

Distribution Coefficient, logD

2.667

Water Solubility, LogSw

-3.48

Polar Surface Area

69.211

Acid Dissociation Constant (pKa)

9.95

Base Dissociation Constant (pKb)

-6.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

3814-0045 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3814-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0045?
Check Price and Availability of 3814-0045, 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 3814-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0045
  • 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 3814-0045 available by request