D401-0553 Screening compound: 4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-N-(propan-2-yl)benzamide

D401-0553 Screening compound: 4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-N-(propan-2-yl)benzamide
D401-0553 Screening compound: 4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-N-(propan-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D401-0553
4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-N-(propan-2-yl)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

D401-0553

Molecular Formula

C25H27N5O (C25 H27 N5 O)

Compound Name

4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[1,2-a]pyrazin-2-yl}-N-(propan-2-yl)benzamide

IUPAC name

4-{3-[(2-ethyl-6-methylphenyl)amino]imidazo[12-a]pyrazin-2-yl}-N-(propan-2-yl)benzamide

SMILES

CCc(cccc1C)c1Nc1c(-c(cc2)ccc2C(NC(C)C)=O)nc2n1ccnc2

InChI

InChI=1S/C25H27N5O/c1-5-18-8-6-7-17(4)22(18)29-24-23(28-21-15-26-13-14-30(21)24)19-9-11-20(12-10-19)25(31)27-16(2)3/h6-16,29H,5H2,1-4H3,(H,27,31)

InChI Key

XTYNYPNWEJUVNU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27584300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.885

Distribution Coefficient, logD

3.884

Water Solubility, LogSw

-3.70

Polar Surface Area

49.460

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D401-0553 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D401-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D401-0553?
Check Price and Availability of D401-0553, 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 D401-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D401-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D401-0553
  • 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 D401-0553 available by request