T003-0444 Screening compound: 7-(5-hexynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

T003-0444 Screening compound: 7-(5-hexynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide
T003-0444 Screening compound: 7-(5-hexynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T003-0444
7-(5-hexynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

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

T003-0444

Molecular Formula

C24H26N6O2 (C24 H26 N6 O2)

Compound Name

7-(5-hexynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

IUPAC name

7-(hex-5-ynoyl)-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-8-phenyl-5H6H7H8H-imidazo[12-a]pyrazine-2-carboxamide

SMILES

Cn1ncc(CNC(c2cn(CCN(C3c4ccccc4)C(CCCC#C)=O)c3n2)=O)c1

InChI

InChI=1S/C24H26N6O2/c1-3-4-6-11-21(31)30-13-12-29-17-20(24(32)25-14-18-15-26-28(2)16-18)27-23(29)22(30)19-9-7-5-8-10-19/h1,5,7-10,15-17,22H,4,6,11-14H2,2H3,(H,25,32)/t22-/m1/s1

InChI Key

PSHAWNNVTBXJHS-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.744

Distribution Coefficient, logD

1.744

Water Solubility, LogSw

-1.96

Polar Surface Area

66.799

Acid Dissociation Constant (pKa)

14.85

Base Dissociation Constant (pKb)

1.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

T003-0444 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T003-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T003-0444?
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What is the minimum amount of T003-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T003-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T003-0444
  • 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 T003-0444 available by request