T501-0569 Screening compound: methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate

T501-0569 Screening compound: methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate
T501-0569 Screening compound: methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-0569
methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate

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

T501-0569

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate

IUPAC name

methyl 4-[(3-{[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]methyl}piperidine-1-carbonyl)amino]benzoate

SMILES

COC(c(cc1)ccc1NC(N1CC(Cc2nncn2CC2CC2)CCC1)=O)=O

InChI

InChI=1S/C21H27N5O3/c1-29-20(27)17-6-8-18(9-7-17)23-21(28)25-10-2-3-16(13-25)11-19-24-22-14-26(19)12-15-4-5-15/h6-9,14-16H,2-5,10-13H2,1H3,(H,23,28)/t16-/m1/s1

InChI Key

SJEJYWNBINKSII-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29015673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.726

Distribution Coefficient, logD

2.726

Water Solubility, LogSw

-3.28

Polar Surface Area

72.399

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

T501-0569 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T501-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-0569?
Check Price and Availability of T501-0569, 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 T501-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-0569
  • 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 T501-0569 available by request