T634-0462 Screening compound: 7-[(diethylamino)methyl]-N~4~,N~4~-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide

T634-0462 Screening compound: 7-[(diethylamino)methyl]-N~4~,N~4~-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide
T634-0462 Screening compound: 7-[(diethylamino)methyl]-N~4~,N~4~-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0462
7-[(diethylamino)methyl]-N~4~,N~4~-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-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

T634-0462

Molecular Formula

C19H31N3O2 (C19 H31 N3 O2)

Compound Name

7-[(diethylamino)methyl]-N~4~,N~4~-diethyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide

IUPAC name

7-[(diethylamino)methyl]-NN-diethyl-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCN(CC)Cc(cc1)cc(C2)c1OCCN2C(N(CC)CC)=O

InChI

InChI=1S/C19H31N3O2/c1-5-20(6-2)14-16-9-10-18-17(13-16)15-22(11-12-24-18)19(23)21(7-3)8-4/h9-10,13H,5-8,11-12,14-15H2,1-4H3

InChI Key

FUJHIPMHHAFMNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29010001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

1.366

Water Solubility, LogSw

-2.98

Polar Surface Area

29.353

Acid Dissociation Constant (pKa)

28.73

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.16

T634-0462 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T634-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0462?
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What is the minimum amount of T634-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0462
  • 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 T634-0462 available by request