T634-0471 Screening compound: N-(butan-2-yl)-7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide

T634-0471 Screening compound: N-(butan-2-yl)-7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide
T634-0471 Screening compound: N-(butan-2-yl)-7-[(diethylamino)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T634-0471
N-(butan-2-yl)-7-[(diethylamino)methyl]-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

T634-0471

Molecular Formula

C19H31N3O2 (C19 H31 N3 O2)

Compound Name

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

IUPAC name

N-(butan-2-yl)-7-[(diethylamino)methyl]-2345-tetrahydro-14-benzoxazepine-4-carboxamide

SMILES

CCC(C)NC(N1Cc(cc(CN(CC)CC)cc2)c2OCC1)=O

InChI

InChI=1S/C19H31N3O2/c1-5-15(4)20-19(23)22-10-11-24-18-9-8-16(12-17(18)14-22)13-21(6-2)7-3/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H,20,23)/t15-/m0/s1

InChI Key

QLOQJDHPMDYSDJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31979790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

1.367

Water Solubility, LogSw

-3.17

Polar Surface Area

38.120

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

T634-0471 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 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

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T634-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T634-0471?
Check Price and Availability of T634-0471, 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 T634-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T634-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T634-0471
  • 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 T634-0471 available by request