T829-1977 Screening compound: N~3~-[2-(dimethylamino)ethyl]-2-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

T829-1977 Screening compound: N~3~-[2-(dimethylamino)ethyl]-2-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
T829-1977 Screening compound: N~3~-[2-(dimethylamino)ethyl]-2-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1977
N~3~-[2-(dimethylamino)ethyl]-2-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-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

T829-1977

Molecular Formula

C18H25N5O3 (C18 H25 N5 O3)

Compound Name

N~3~-[2-(dimethylamino)ethyl]-2-methyl-5-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

IUPAC name

N-[2-(dimethylamino)ethyl]-2-methyl-5-(1-methyl-1H-pyrazole-5-carbonyl)-4H5H6H7H-furo[32-c]pyridine-3-carboxamide

SMILES

Cc1c(C(NCCN(C)C)=O)c(CN(CC2)C(c3ccnn3C)=O)c2o1

InChI

InChI=1S/C18H25N5O3/c1-12-16(17(24)19-8-10-21(2)3)13-11-23(9-6-15(13)26-12)18(25)14-5-7-20-22(14)4/h5,7H,6,8-11H2,1-4H3,(H,19,24)

InChI Key

YKIBVFFKXCBPKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.329

Distribution Coefficient, logD

-1.168

Water Solubility, LogSw

-1.70

Polar Surface Area

66.818

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T829-1977 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with T829-1977 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1977
  • 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 T829-1977 available by request