T829-1158 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl](4-methyl-1,4-diazepan-1-yl)methanone

T829-1158 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl](4-methyl-1,4-diazepan-1-yl)methanone
T829-1158 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl](4-methyl-1,4-diazepan-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1158
[5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl](4-methyl-1,4-diazepan-1-yl)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

T829-1158

Molecular Formula

C23H31N3O3 (C23 H31 N3 O3)

Compound Name

[5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl](4-methyl-1,4-diazepan-1-yl)methanone

IUPAC name

1-{5-[(4-methoxyphenyl)methyl]-2-methyl-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}-4-methyl-14-diazepane

SMILES

Cc1c(C(N2CCN(C)CCC2)=O)c(CN(Cc(cc2)ccc2OC)CC2)c2o1

InChI

InChI=1S/C23H31N3O3/c1-17-22(23(27)26-11-4-10-24(2)13-14-26)20-16-25(12-9-21(20)29-17)15-18-5-7-19(28-3)8-6-18/h5-8H,4,9-16H2,1-3H3

InChI Key

LYBPPFOWMYXHOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.107

Distribution Coefficient, logD

-2.368

Water Solubility, LogSw

-2.44

Polar Surface Area

39.860

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

11.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

T829-1158 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with T829-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1158?
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What is the minimum amount of T829-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1158
  • 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 T829-1158 available by request