T505-0639 Screening compound: 1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

T505-0639 Screening compound: 1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide
T505-0639 Screening compound: 1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T505-0639
1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

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

T505-0639

Molecular Formula

C22H31N5O3 (C22 H31 N5 O3)

Compound Name

1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-N,N-dimethyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(2-{1-[3-(4-methoxyphenyl)propanoyl]piperidin-2-yl}ethyl)-NN-dimethyl-1H-123-triazole-4-carboxamide

SMILES

CN(C)C(c1cn(CCC(CCCC2)N2C(CCc(cc2)ccc2OC)=O)nn1)=O

InChI

InChI=1S/C22H31N5O3/c1-25(2)22(29)20-16-26(24-23-20)15-13-18-6-4-5-14-27(18)21(28)12-9-17-7-10-19(30-3)11-8-17/h7-8,10-11,16,18H,4-6,9,12-15H2,1-3H3/t18-/m1/s1

InChI Key

RFOKZFBDSUCDCL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32261976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.630

Distribution Coefficient, logD

1.630

Water Solubility, LogSw

-1.80

Polar Surface Area

66.042

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

T505-0639 in Drug Discovery

Included in Screening Libraries

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T505-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T505-0639?
Check Price and Availability of T505-0639, 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 T505-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T505-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T505-0639
  • 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 T505-0639 available by request