T629-1774 Screening compound: 1,3-benzodioxol-5-yl[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone

T629-1774 Screening compound: 1,3-benzodioxol-5-yl[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
T629-1774 Screening compound: 1,3-benzodioxol-5-yl[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T629-1774
1,3-benzodioxol-5-yl[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone

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

T629-1774

Molecular Formula

C16H18N4O3 (C16 H18 N4 O3)

Compound Name

1,3-benzodioxol-5-yl[3-(5-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-3-(5-methyl-4H-124-triazol-3-yl)piperidine

SMILES

Cc1nnc(C(CCC2)CN2C(c(cc2)cc3c2OCO3)=O)[nH]1

InChI

InChI=1S/C16H18N4O3/c1-10-17-15(19-18-10)12-3-2-6-20(8-12)16(21)11-4-5-13-14(7-11)23-9-22-13/h4-5,7,12H,2-3,6,8-9H2,1H3,(H,17,18,19)/t12-/m0/s1

InChI Key

GPEATHARHGOYNB-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29027913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.945

Distribution Coefficient, logD

0.942

Water Solubility, LogSw

-1.93

Polar Surface Area

67.333

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

T629-1774 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T629-1774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T629-1774?
Check Price and Availability of T629-1774, 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 T629-1774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T629-1774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T629-1774
  • 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 T629-1774 available by request