P719-1308 Screening compound: 7-(1-azepanylsulfonyl)-2-(2-methoxyethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one

P719-1308 Screening compound: 7-(1-azepanylsulfonyl)-2-(2-methoxyethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one
P719-1308 Screening compound: 7-(1-azepanylsulfonyl)-2-(2-methoxyethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P719-1308
7-(1-azepanylsulfonyl)-2-(2-methoxyethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-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

P719-1308

Molecular Formula

C16H25N3O4S (C16 H25 N3 O4 S)

Compound Name

7-(1-azepanylsulfonyl)-2-(2-methoxyethyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-one

IUPAC name

7-(azepane-1-sulfonyl)-2-(2-methoxyethyl)-1H2H3H4H-pyrrolo[12-a]pyrazin-1-one

SMILES

COCCN(CCn1c2cc(S(N3CCCCCC3)(=O)=O)c1)C2=O

InChI

InChI=1S/C16H25N3O4S/c1-23-11-10-17-8-9-18-13-14(12-15(18)16(17)20)24(21,22)19-6-4-2-3-5-7-19/h12-13H,2-11H2,1H3

InChI Key

LQQDVFDIUHPIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.972

Distribution Coefficient, logD

0.972

Water Solubility, LogSw

-1.89

Polar Surface Area

59.612

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

P719-1308 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P719-1308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P719-1308?
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What is the minimum amount of P719-1308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P719-1308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P719-1308
  • 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 P719-1308 available by request