S565-1237 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-methyl-4H-1,2,4-triazole

S565-1237 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-methyl-4H-1,2,4-triazole
S565-1237 Screening compound: 3-(5-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-methyl-4H-1,2,4-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S565-1237
3-(5-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-methyl-4H-1,2,4-triazole

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

S565-1237

Molecular Formula

C24H26FN7O (C24 H26 FN7 O)

Compound Name

3-(5-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-yl)-4-methyl-4H-1,2,4-triazole

IUPAC name

3-(5-{1-[(4-fluorophenyl)methyl]-25-dimethyl-1H-pyrrole-3-carbonyl}-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl)-4-methyl-4H-124-triazole

SMILES

Cc1cc(C(N(CC2)Cc3c2n(C)nc3-c2nncn2C)=O)c(C)n1Cc(cc1)ccc1F

InChI

InChI=1S/C24H26FN7O/c1-15-11-19(16(2)32(15)12-17-5-7-18(25)8-6-17)24(33)31-10-9-21-20(13-31)22(28-30(21)4)23-27-26-14-29(23)3/h5-8,11,14H,9-10,12-13H2,1-4H3

InChI Key

NNBBFAAPSDJMKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31981888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.477

Distribution Coefficient, logD

1.472

Water Solubility, LogSw

-2.19

Polar Surface Area

58.400

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

S565-1237 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S565-1237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S565-1237?
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What is the minimum amount of S565-1237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S565-1237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S565-1237
  • 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 S565-1237 available by request