D401-0500 Screening compound: methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate

D401-0500 Screening compound: methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate
D401-0500 Screening compound: methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0500
methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate

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

D401-0500

Molecular Formula

C21H16N4O4 (C21 H16 N4 O4)

Compound Name

methyl 4-{3-[(2H-1,3-benzodioxol-5-yl)amino]imidazo[1,2-a]pyrazin-2-yl}benzoate

IUPAC name

methyl 4-{3-[(2H-13-benzodioxol-5-yl)amino]imidazo[12-a]pyrazin-2-yl}benzoate

SMILES

COC(c(cc1)ccc1-c1c(Nc(cc2)cc3c2OCO3)n(ccnc2)c2n1)=O

InChI

InChI=1S/C21H16N4O4/c1-27-21(26)14-4-2-13(3-5-14)19-20(25-9-8-22-11-18(25)24-19)23-15-6-7-16-17(10-15)29-12-28-16/h2-11,23H,12H2,1H3

InChI Key

YSUJEIVRSREUJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.548

Distribution Coefficient, logD

3.548

Water Solubility, LogSw

-3.43

Polar Surface Area

65.486

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D401-0500 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D401-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0500?
Check Price and Availability of D401-0500, 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 D401-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0500
  • 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 D401-0500 available by request