T634-0476 Screening compound: 7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

T634-0476 Screening compound: 7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
T634-0476 Screening compound: 7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0476
7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-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

T634-0476

Molecular Formula

C22H29N3O3 (C22 H29 N3 O3)

Compound Name

7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

IUPAC name

7-[(diethylamino)methyl]-N-(4-methoxyphenyl)-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2C(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C22H29N3O3/c1-4-24(5-2)15-17-6-11-21-18(14-17)16-25(12-13-28-21)22(26)23-19-7-9-20(27-3)10-8-19/h6-11,14H,4-5,12-13,15-16H2,1-3H3,(H,23,26)

InChI Key

XTPCSKLRANERJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32000597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-3.61

Polar Surface Area

44.628

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

T634-0476 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0476?
Check Price and Availability of T634-0476, 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 T634-0476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0476
  • 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 T634-0476 available by request