T495-4644 Screening compound: N~1~-{[3-ethyl-5-(2-thienylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}-1-cyclobutanecarboxamide

T495-4644 Screening compound: N~1~-{[3-ethyl-5-(2-thienylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}-1-cyclobutanecarboxamide
T495-4644 Screening compound: N~1~-{[3-ethyl-5-(2-thienylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T495-4644
N~1~-{[3-ethyl-5-(2-thienylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}-1-cyclobutanecarboxamide

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

T495-4644

Molecular Formula

C19H26N4OS (C19 H26 N4 OS)

Compound Name

N~1~-{[3-ethyl-5-(2-thienylmethyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl]methyl}-1-cyclobutanecarboxamide

IUPAC name

n/a

SMILES

CCn1c(CN(Cc2cccs2)CC2)c2nc1CNC(C1CCC1)=O

InChI

InChI=1S/C19H26N4OS/c1-2-23-17-13-22(12-15-7-4-10-25-15)9-8-16(17)21-18(23)11-20-19(24)14-5-3-6-14/h4,7,10,14H,2-3,5-6,8-9,11-13H2,1H3,(H,20,24)

InChI Key

VXRCBIVPBHCDFX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.672

Distribution Coefficient, logD

0.955

Water Solubility, LogSw

-2.35

Polar Surface Area

42.485

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

8.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

T495-4644 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T495-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T495-4644?
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What is the minimum amount of T495-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T495-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T495-4644
  • 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 T495-4644 available by request