T634-0704 Screening compound: 4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0704 Screening compound: 4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0704 Screening compound: 4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0704
4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

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

T634-0704

Molecular Formula

C21H24BrN3O2 (C21 H24 BrN3 O2)

Compound Name

4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

IUPAC name

4-(5-bromopyridine-3-carbonyl)-7-[(piperidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

O=C(c1cc(Br)cnc1)N1Cc(cc(CN2CCCCC2)cc2)c2OCC1

InChI

InChI=1S/C21H24BrN3O2/c22-19-11-17(12-23-13-19)21(26)25-8-9-27-20-5-4-16(10-18(20)15-25)14-24-6-2-1-3-7-24/h4-5,10-13H,1-3,6-9,14-15H2

InChI Key

RVDBGZNEKBIVIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31979747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.34

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

3.260

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-2.96

Polar Surface Area

38.171

Acid Dissociation Constant (pKa)

26.46

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

T634-0704 in Drug Discovery

Included in Screening Libraries

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T634-0704 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0704?
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What is the minimum amount of T634-0704 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0704
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0704
  • 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 T634-0704 available by request