D401-0377 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

D401-0377 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
D401-0377 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0377
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

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

D401-0377

Molecular Formula

C22H20N4O4 (C22 H20 N4 O4)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-amine

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-(34-dimethoxyphenyl)imidazo[12-a]pyrazin-3-amine

SMILES

COc(ccc(-c1c(Nc(cc2)cc3c2OCCO3)n(ccnc2)c2n1)c1)c1OC

InChI

InChI=1S/C22H20N4O4/c1-27-16-5-3-14(11-18(16)28-2)21-22(26-8-7-23-13-20(26)25-21)24-15-4-6-17-19(12-15)30-10-9-29-17/h3-8,11-13,24H,9-10H2,1-2H3

InChI Key

HUMFEHOKVAEHMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-2.46

Polar Surface Area

58.281

Acid Dissociation Constant (pKa)

19.06

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

D401-0377 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D401-0377 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0377?
Check Price and Availability of D401-0377, 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 D401-0377 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0377
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0377
  • 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 D401-0377 available by request