L462-0373 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

L462-0373 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide
L462-0373 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L462-0373
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

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

L462-0373

Molecular Formula

C18H18N4O5 (C18 H18 N4 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H,7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-{13-dimethyl-24-dioxo-1H2H3H4H7H-pyrrolo[23-d]pyrimidin-7-yl}acetamide

SMILES

CN(c(n(CC(NCc(cc1)cc2c1OCO2)=O)cc1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C18H18N4O5/c1-20-16-12(17(24)21(2)18(20)25)5-6-22(16)9-15(23)19-8-11-3-4-13-14(7-11)27-10-26-13/h3-7H,8-10H2,1-2H3,(H,19,23)

InChI Key

XVQWDACEFDQMJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-2.53

Polar Surface Area

75.271

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L462-0373 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Others

References: we are preparing a list of scientific research reports with L462-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L462-0373?
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What is the minimum amount of L462-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L462-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L462-0373
  • 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 L462-0373 available by request