SC25-0916 Screening compound: [4-(2-fluorobenzyl)piperazino][3-(4-pyridyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

SC25-0916 Screening compound: [4-(2-fluorobenzyl)piperazino][3-(4-pyridyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone
SC25-0916 Screening compound: [4-(2-fluorobenzyl)piperazino][3-(4-pyridyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC25-0916
[4-(2-fluorobenzyl)piperazino][3-(4-pyridyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

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

SC25-0916

Molecular Formula

C23H25FN6O (C23 H25 FN6 O)

Compound Name

[4-(2-fluorobenzyl)piperazino][3-(4-pyridyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanone

IUPAC name

1-[(2-fluorophenyl)methyl]-4-[3-(pyridin-4-yl)-5H6H7H8H-[124]triazolo[43-a]pyridine-8-carbonyl]piperazine

SMILES

O=C(C1c2nnc(-c3ccncc3)n2CCC1)N1CCN(Cc(cccc2)c2F)CC1

InChI

InChI=1S/C23H25FN6O/c24-20-6-2-1-4-18(20)16-28-12-14-29(15-13-28)23(31)19-5-3-11-30-21(26-27-22(19)30)17-7-9-25-10-8-17/h1-2,4,6-10,19H,3,5,11-16H2/t19-/m1/s1

InChI Key

VENPOUVRNZCRRG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32257391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.833

Distribution Coefficient, logD

1.813

Water Solubility, LogSw

-1.73

Polar Surface Area

53.565

Acid Dissociation Constant (pKa)

18.33

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SC25-0916 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC25-0916 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC25-0916?
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What is the minimum amount of SC25-0916 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC25-0916
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC25-0916
  • 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 SC25-0916 available by request