S437-1603 Screening compound: 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one

S437-1603 Screening compound: 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one
S437-1603 Screening compound: 6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S437-1603
6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-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

S437-1603

Molecular Formula

C23H21FN6O3 (C23 H21 FN6 O3)

Compound Name

6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H,5H-[1,2,3]triazolo[1,5-a]pyrazin-4-one

IUPAC name

6-(4-fluorophenyl)-3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-4H5H-[123]triazolo[15-a]pyrazin-4-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(c1c(C(NC(c(cc2)ccc2F)=C2)=O)n2nn1)=O

InChI

InChI=1S/C23H21FN6O3/c1-33-19-5-3-2-4-18(19)28-10-12-29(13-11-28)23(32)20-21-22(31)25-17(14-30(21)27-26-20)15-6-8-16(24)9-7-15/h2-9,14H,10-13H2,1H3,(H,25,31)

InChI Key

IRCAGENLNCRAKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29009924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.935

Distribution Coefficient, logD

0.163

Water Solubility, LogSw

-2.46

Polar Surface Area

78.026

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

S437-1603 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 S437-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S437-1603?
Check Price and Availability of S437-1603, 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 S437-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S437-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S437-1603
  • 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 S437-1603 available by request