T829-1323 Screening compound: N~3~-ethyl-5-(4-fluorobenzyl)-2-methyl-N~3~-(2-methylallyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

T829-1323 Screening compound: N~3~-ethyl-5-(4-fluorobenzyl)-2-methyl-N~3~-(2-methylallyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
T829-1323 Screening compound: N~3~-ethyl-5-(4-fluorobenzyl)-2-methyl-N~3~-(2-methylallyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1323
N~3~-ethyl-5-(4-fluorobenzyl)-2-methyl-N~3~-(2-methylallyl)-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

T829-1323

Molecular Formula

C22H27FN2O2 (C22 H27 FN2 O2)

Compound Name

N~3~-ethyl-5-(4-fluorobenzyl)-2-methyl-N~3~-(2-methylallyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

IUPAC name

N-ethyl-5-[(4-fluorophenyl)methyl]-2-methyl-N-(2-methylprop-2-en-1-yl)-4H5H6H7H-furo[32-c]pyridine-3-carboxamide

SMILES

CCN(CC(C)=C)C(c1c(C)oc2c1CN(Cc(cc1)ccc1F)CC2)=O

InChI

InChI=1S/C22H27FN2O2/c1-5-25(12-15(2)3)22(26)21-16(4)27-20-10-11-24(14-19(20)21)13-17-6-8-18(23)9-7-17/h6-9H,2,5,10-14H2,1,3-4H3

InChI Key

UEWYUPVGPIZYTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

-0.474

Water Solubility, LogSw

-4.19

Polar Surface Area

28.068

Acid Dissociation Constant (pKa)

25.85

Base Dissociation Constant (pKb)

11.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

T829-1323 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T829-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1323?
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What is the minimum amount of T829-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1323
  • 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 T829-1323 available by request