T501-1263 Screening compound: 5-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-3',5'-dimethyl-1'-propyl-1H,1'H-3,4'-bipyrazole

T501-1263 Screening compound: 5-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-3',5'-dimethyl-1'-propyl-1H,1'H-3,4'-bipyrazole
T501-1263 Screening compound: 5-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-3',5'-dimethyl-1'-propyl-1H,1'H-3,4'-bipyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1263
5-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-3',5'-dimethyl-1'-propyl-1H,1'H-3,4'-bipyrazole

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

T501-1263

Molecular Formula

C24H34N8O (C24 H34 N8 O)

Compound Name

5-(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)-3',5'-dimethyl-1'-propyl-1H,1'H-3,4'-bipyrazole

IUPAC name

5-(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}piperidine-1-carbonyl)-3'5'-dimethyl-1'-propyl-1H1'H-34'-bipyrazole

SMILES

CCCn1nc(C)c(-c2n[nH]c(C(N3CC(Cc4nncn4CC4CC4)CCC3)=O)c2)c1C

InChI

InChI=1S/C24H34N8O/c1-4-9-32-17(3)23(16(2)29-32)20-12-21(27-26-20)24(33)30-10-5-6-19(14-30)11-22-28-25-15-31(22)13-18-7-8-18/h12,15,18-19H,4-11,13-14H2,1-3H3,(H,26,27)/t19-/m1/s1

InChI Key

HITHBJFKTNCVEX-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31998680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.291

Distribution Coefficient, logD

2.291

Water Solubility, LogSw

-2.63

Polar Surface Area

79.426

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

T501-1263 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with T501-1263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1263?
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What is the minimum amount of T501-1263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1263
  • 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 T501-1263 available by request