M451-2271 Screening compound: N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M451-2271 Screening compound: N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M451-2271 Screening compound: N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M451-2271
N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

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

M451-2271

Molecular Formula

C19H13BrFN5O2S (C19 H13 BrFN5 O2 S)

Compound Name

N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(4-bromophenyl)-2-{8-[(3-fluorophenyl)sulfanyl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

O=C(CN1N=C(C(Sc2cc(F)ccc2)=NC=C2)N2C1=O)Nc(cc1)ccc1Br

InChI

InChI=1S/C19H13BrFN5O2S/c20-12-4-6-14(7-5-12)23-16(27)11-26-19(28)25-9-8-22-18(17(25)24-26)29-15-3-1-2-13(21)10-15/h1-10H,11H2,(H,23,27)

InChI Key

SFOCXXIKQMYXLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.538

Distribution Coefficient, logD

3.538

Water Solubility, LogSw

-3.79

Polar Surface Area

62.586

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with M451-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M451-2271?
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What is the minimum amount of M451-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M451-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M451-2271
  • 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 M451-2271 available by request