D600-0631 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol

D600-0631 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol
D600-0631 Screening compound: 4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound D600-0631
4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol

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

D600-0631

Molecular Formula

C20H17ClN4O2 (C20 H17 ClN4 O2)

Compound Name

4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-2-methoxyphenol

IUPAC name

4-{3-[(3-chloro-4-methylphenyl)amino]imidazo[12-a]pyrazin-2-yl}-2-methoxyphenol

SMILES

Cc(ccc(Nc1c(-c(cc2)cc(OC)c2O)nc2n1ccnc2)c1)c1Cl

InChI

InChI=1S/C20H17ClN4O2/c1-12-3-5-14(10-15(12)21)23-20-19(24-18-11-22-7-8-25(18)20)13-4-6-16(26)17(9-13)27-2/h3-11,23,26H,1-2H3

InChI Key

HOULLORTLNJOGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.296

Water Solubility, LogSw

-4.26

Polar Surface Area

51.375

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D600-0631 in Drug Discovery

Included in Screening Libraries

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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D600-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D600-0631?
Check Price and Availability of D600-0631, 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 D600-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D600-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D600-0631
  • 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 D600-0631 available by request