D401-0779 Screening compound: 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoic acid

D401-0779 Screening compound: 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoic acid
D401-0779 Screening compound: 3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0779
3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoic acid

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

D401-0779

Molecular Formula

C20H16N4O2S (C20 H16 N4 O2 S)

Compound Name

3-({2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoic acid

IUPAC name

3-({2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyrazin-3-yl}amino)benzoic acid

SMILES

CSc(cc1)ccc1-c1c(Nc2cc(C(O)=O)ccc2)n(ccnc2)c2n1

InChI

InChI=1S/C20H16N4O2S/c1-27-16-7-5-13(6-8-16)18-19(24-10-9-21-12-17(24)23-18)22-15-4-2-3-14(11-15)20(25)26/h2-12,22H,1H3,(H,25,26)

InChI Key

KIZOAUQOIFIZQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

1.173

Water Solubility, LogSw

-4.15

Polar Surface Area

55.605

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D401-0779 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D401-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0779?
Check Price and Availability of D401-0779, 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 D401-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0779
  • 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 D401-0779 available by request