D401-0304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzamide

D401-0304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzamide
D401-0304 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0304
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-{[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzamide

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

D401-0304

Molecular Formula

C27H20ClN5O3 (C27 H20 ClN5 O3)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(Nc2c(-c(cc3)ccc3Cl)nc3n2ccnc3)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C27H20ClN5O3/c28-20-7-5-18(6-8-20)25-26(33-11-10-29-15-24(33)32-25)31-21-3-1-2-19(13-21)27(34)30-14-17-4-9-22-23(12-17)36-16-35-22/h1-13,15,31H,14,16H2,(H,30,34)

InChI Key

NXKJYCMCDAZVMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-5.27

Polar Surface Area

68.726

Acid Dissociation Constant (pKa)

13.37

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

D401-0304 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D401-0304 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0304?
Check Price and Availability of D401-0304, 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 D401-0304 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0304
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0304
  • 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 D401-0304 available by request