T829-1455 Screening compound: 1-{5-[(4-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}-4-methyl-1,4-diazepane

T829-1455 Screening compound: 1-{5-[(4-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}-4-methyl-1,4-diazepane
T829-1455 Screening compound: 1-{5-[(4-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}-4-methyl-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1455
1-{5-[(4-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}-4-methyl-1,4-diazepane

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

T829-1455

Molecular Formula

C22H28FN3O2 (C22 H28 FN3 O2)

Compound Name

1-{5-[(4-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}-4-methyl-1,4-diazepane

IUPAC name

1-{5-[(4-fluorophenyl)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)ccc2F)CC2)c2o1

InChI

InChI=1S/C22H28FN3O2/c1-16-21(22(27)26-10-3-9-24(2)12-13-26)19-15-25(11-8-20(19)28-16)14-17-4-6-18(23)7-5-17/h4-7H,3,8-15H2,1-2H3

InChI Key

BZVSWWRLCILBTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29018664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.153

Distribution Coefficient, logD

-2.185

Water Solubility, LogSw

-2.37

Polar Surface Area

32.316

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T829-1455 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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
  • 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 T829-1455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1455?
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What is the minimum amount of T829-1455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1455
  • 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 T829-1455 available by request