T634-0480 Screening compound: diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)amine

T634-0480 Screening compound: diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)amine
T634-0480 Screening compound: diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0480
diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)amine

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

T634-0480

Molecular Formula

C18H26N4O3S (C18 H26 N4 O3 S)

Compound Name

diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}methyl)amine

IUPAC name

diethyl({4-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-2345-tetrahydro-14-benzoxazepin-7-yl}methyl)amine

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2S(c1cn(C)cn1)(=O)=O

InChI

InChI=1S/C18H26N4O3S/c1-4-21(5-2)11-15-6-7-17-16(10-15)12-22(8-9-25-17)26(23,24)18-13-20(3)14-19-18/h6-7,10,13-14H,4-5,8-9,11-12H2,1-3H3

InChI Key

IFEZLQDBJLEMLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31983959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.597

Distribution Coefficient, logD

-0.256

Water Solubility, LogSw

-2.36

Polar Surface Area

55.738

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

9.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T634-0480 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T634-0480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0480?
Check Price and Availability of T634-0480, 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 T634-0480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0480
  • 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 T634-0480 available by request