T501-1324 Screening compound: 3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
Chemical Structure Depiction of ChemDiv screening compound T501-1324
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-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
T501-1324
Molecular Formula
C25H33N5O4S (C25 H33 N5 O4 S)
Compound Name
3-[(1-acetyl-2,3-dihydro-1H-indol-5-yl)sulfonyl]-1-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
IUPAC name
3-[(1-acetyl-23-dihydro-1H-indol-5-yl)sulfonyl]-1-(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}piperidin-1-yl)propan-1-one
SMILES
CC(N(CC1)c(cc2)c1cc2S(CCC(N1CC(Cc2nncn2CC2CC2)CCC1)=O)(=O)=O)=O
InChI Key
MDL Number (MFCD)
Chemical and Physical Properties
Saltdata
n/a
Molecular Weight
499.63
Hydrogen Bond Acceptors Count
10.00
Hydrogen Bond Donors Count
0.00
Rotatable Bond Count
10.00
Number of Nitrogen and Oxygen Atoms
9
Partition Coefficient, logP
0.999
Distribution Coefficient, logD
0.999
Water Solubility, LogSw
-2.40
Polar Surface Area
87.331
Acid Dissociation Constant (pKa)
21.08
Base Dissociation Constant (pKb)
2.84
Number of Chiral Centers
1.00
Percent sp3 carbon bonding
60.00
T501-1324 in Drug Discovery
Included in Screening Libraries
PPI Helix Turn 3D-Mimetics Library (71298 compounds)
PPI Inhibitors Tripeptide Mimetics (23972 compounds)
Protein-Protein Interaction Library (218420 compounds)
Included in 1.7M Stock Database
- PPI modulators
- PPI modulators
- PPI modulators
- Mimetics
- Mimetics
References: we are preparing a list of scientific research reports with T501-1324 chemical compound. It will be published here after verification.
Frequently Asked Questions
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Available from 1 mg in Glass Vials or 96-tube racks.
ChemDiv sends parcels with Express services (UPS, WC).
- 1–2 days for small orders
- 2–4 weeks for large selections
- 0.5–50 mg of dry powder sample in single glass vials, custom vials
- DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)