T630-2777 Screening compound: 2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}ethan-1-one

T630-2777 Screening compound: 2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}ethan-1-one
T630-2777 Screening compound: 2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T630-2777
2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}ethan-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

T630-2777

Molecular Formula

C19H25N5O (C19 H25 N5 O)

Compound Name

2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]piperidin-1-yl}ethan-1-one

IUPAC name

2-cyclopentyl-1-{4-[5-(pyridin-4-yl)-4H-124-triazol-3-yl]piperidin-1-yl}ethan-1-one

SMILES

O=C(CC1CCCC1)N(CC1)CCC1c1nnc(-c2ccncc2)[nH]1

InChI

InChI=1S/C19H25N5O/c25-17(13-14-3-1-2-4-14)24-11-7-16(8-12-24)19-21-18(22-23-19)15-5-9-20-10-6-15/h5-6,9-10,14,16H,1-4,7-8,11-13H2,(H,21,22,23)

InChI Key

VBYFXUNZMVTJDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29028079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-1.99

Polar Surface Area

59.859

Acid Dissociation Constant (pKa)

4.22

Base Dissociation Constant (pKb)

4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

T630-2777 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T630-2777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T630-2777?
Check Price and Availability of T630-2777, 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 T630-2777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T630-2777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T630-2777
  • 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 T630-2777 available by request