T501-1487 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

T501-1487 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
T501-1487 Screening compound: 4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T501-1487
4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

T501-1487

Molecular Formula

C26H29N7O3S2 (C26 H29 N7 O3 S2)

Compound Name

4-[(4-{3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(4-{3-[(4-phenyl-4H-124-triazol-3-yl)methyl]piperidine-1-carbonyl}piperidin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

O=C(C(CC1)CCN1S(c1cccc2nsnc12)(=O)=O)N1CC(Cc2nncn2-c2ccccc2)CCC1

InChI

InChI=1S/C26H29N7O3S2/c34-26(20-11-14-32(15-12-20)38(35,36)23-10-4-9-22-25(23)30-37-29-22)31-13-5-6-19(17-31)16-24-28-27-18-33(24)21-7-2-1-3-8-21/h1-4,7-10,18-20H,5-6,11-17H2/t19-/m1/s1

InChI Key

FADHXWMDKVFPTA-LJQANCHMSA-N

MDL Number (MFCD)

MFCD31972818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.69

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.973

Water Solubility, LogSw

-3.33

Polar Surface Area

95.004

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.31

T501-1487 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

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

References: we are preparing a list of scientific research reports with T501-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T501-1487?
Check Price and Availability of T501-1487, 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 T501-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T501-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T501-1487
  • 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 T501-1487 available by request