T634-0703 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine

T634-0703 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
T634-0703 Screening compound: 4-(1-methyl-1H-pyrrole-2-carbonyl)-7-[(piperidin-1-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0703
4-(1-methyl-1H-pyrrole-2-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

T634-0703

Molecular Formula

C21H27N3O2 (C21 H27 N3 O2)

Compound Name

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

IUPAC name

4-(1-methyl-1H-pyrrole-2-carbonyl)-7-[(piperidin-1-yl)methyl]-2345-tetrahydro-14-benzoxazepine

SMILES

Cn1c(C(N2Cc(cc(CN3CCCCC3)cc3)c3OCC2)=O)ccc1

InChI

InChI=1S/C21H27N3O2/c1-22-9-5-6-19(22)21(25)24-12-13-26-20-8-7-17(14-18(20)16-24)15-23-10-3-2-4-11-23/h5-9,14H,2-4,10-13,15-16H2,1H3

InChI Key

NXRVUJHRYXKDOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-3.50

Polar Surface Area

30.980

Acid Dissociation Constant (pKa)

27.74

Base Dissociation Constant (pKb)

9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

T634-0703 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0703 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0703?
Check Price and Availability of T634-0703, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T634-0703 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0703
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0703
  • 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 T634-0703 available by request