T001-1242 Screening compound: 1-[1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-butyn-1-one

T001-1242 Screening compound: 1-[1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-butyn-1-one
T001-1242 Screening compound: 1-[1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-butyn-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-1242
1-[1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-butyn-1-one

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

T001-1242

Molecular Formula

C13H16N2O (C13 H16 N2 O)

Compound Name

1-[1,6-dimethyl-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl]-2-butyn-1-one

IUPAC name

1-{16-dimethyl-1H2H3H4H-pyrrolo[12-a]pyrazin-2-yl}but-2-yn-1-one

SMILES

CC(c1ccc(C)n1CC1)N1C(C#CC)=O

InChI

InChI=1S/C13H16N2O/c1-4-5-13(16)15-9-8-14-10(2)6-7-12(14)11(15)3/h6-7,11H,8-9H2,1-3H3/t11-/m0/s1

InChI Key

GSPYUDMCLFISAK-NSHDSACASA-N

MDL Number (MFCD)

MFCD32260996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.086

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-2.30

Polar Surface Area

16.921

Acid Dissociation Constant (pKa)

28.51

Base Dissociation Constant (pKb)

-3.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

T001-1242 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Covalent Fragments Smart Library (839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T001-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-1242?
Check Price and Availability of T001-1242, 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 T001-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-1242
  • 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 T001-1242 available by request