D401-0776 Screening compound: methyl 3-{[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate

D401-0776 Screening compound: methyl 3-{[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate
D401-0776 Screening compound: methyl 3-{[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0776
methyl 3-{[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}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

D401-0776

Molecular Formula

C20H16N4O3 (C20 H16 N4 O3)

Compound Name

methyl 3-{[2-(3-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzoate

IUPAC name

methyl 3-{[2-(3-hydroxyphenyl)imidazo[12-a]pyrazin-3-yl]amino}benzoate

SMILES

COC(c1cc(Nc2c(-c3cc(O)ccc3)nc3n2ccnc3)ccc1)=O

InChI

InChI=1S/C20H16N4O3/c1-27-20(26)14-5-2-6-15(10-14)22-19-18(13-4-3-7-16(25)11-13)23-17-12-21-8-9-24(17)19/h2-12,22,25H,1H3

InChI Key

MEOPGWQDYPCNAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.589

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.33

Polar Surface Area

65.988

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D401-0776 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D401-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0776?
Check Price and Availability of D401-0776, 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 D401-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0776
  • 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 D401-0776 available by request