SC25-0791 Screening compound: [3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl][4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone

SC25-0791 Screening compound: [3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl][4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone
SC25-0791 Screening compound: [3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl][4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC25-0791
[3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl][4-(2-pyrimidinyl)-1,4-diazepan-1-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

SC25-0791

Molecular Formula

C22H24FN7O (C22 H24 FN7 O)

Compound Name

[3-(4-fluorophenyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-8-yl][4-(2-pyrimidinyl)-1,4-diazepan-1-yl]methanone

IUPAC name

1-[3-(4-fluorophenyl)-5H6H7H8H-[124]triazolo[43-a]pyridine-8-carbonyl]-4-(pyrimidin-2-yl)-14-diazepane

SMILES

O=C(C1c2nnc(-c(cc3)ccc3F)n2CCC1)N(CCC1)CCN1c1ncccn1

InChI

InChI=1S/C22H24FN7O/c23-17-7-5-16(6-8-17)19-26-27-20-18(4-1-13-30(19)20)21(31)28-11-3-12-29(15-14-28)22-24-9-2-10-25-22/h2,5-10,18H,1,3-4,11-15H2/t18-/m1/s1

InChI Key

CWAZPGWGFNDVIY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32258579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.568

Water Solubility, LogSw

-2.52

Polar Surface Area

62.550

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SC25-0791 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SC25-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC25-0791?
Check Price and Availability of SC25-0791, 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 SC25-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC25-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC25-0791
  • 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 SC25-0791 available by request