T835-1839 Screening compound: 2-METHYL-1-(3-{[3-(2-METHYLPROPYL)-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL]METHYL}PYRROLIDIN-1-YL)BUTAN-1-ONE

T835-1839 Screening compound: 2-METHYL-1-(3-{[3-(2-METHYLPROPYL)-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL]METHYL}PYRROLIDIN-1-YL)BUTAN-1-ONE
T835-1839 Screening compound: 2-METHYL-1-(3-{[3-(2-METHYLPROPYL)-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL]METHYL}PYRROLIDIN-1-YL)BUTAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-1839
2-METHYL-1-(3-{[3-(2-METHYLPROPYL)-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL]METHYL}PYRROLIDIN-1-YL)BUTAN-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

T835-1839

Molecular Formula

C20H30N4O (C20 H30 N4 O)

Compound Name

2-METHYL-1-(3-{[3-(2-METHYLPROPYL)-3H-IMIDAZO[4,5-B]PYRIDIN-2-YL]METHYL}PYRROLIDIN-1-YL)BUTAN-1-ONE

IUPAC name

n/a

SMILES

CCC(C)C(N1CC(Cc(n2CC(C)C)nc3c2nccc3)CC1)=O

InChI

InChI=1S/C20H30N4O/c1-5-15(4)20(25)23-10-8-16(13-23)11-18-22-17-7-6-9-21-19(17)24(18)12-14(2)3/h6-7,9,14-16H,5,8,10-13H2,1-4H3

InChI Key

XPUUYUWPCLYVIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.807

Distribution Coefficient, logD

3.807

Water Solubility, LogSw

-3.93

Polar Surface Area

38.269

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

T835-1839 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T835-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-1839?
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What is the minimum amount of T835-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-1839
  • 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 T835-1839 available by request