D750-0105 Screening compound: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide

D750-0105 Screening compound: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide
D750-0105 Screening compound: N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D750-0105
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide

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

D750-0105

Molecular Formula

C25H28N2O4 (C25 H28 N2 O4)

Compound Name

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[1-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)cyclohexyl]acetamide

IUPAC name

N-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-[1-(1-oxo-23-dihydro-1H-isoindol-2-yl)cyclohexyl]acetamide

SMILES

O=C(CC1(CCCCC1)N(Cc1c2cccc1)C2=O)Nc(cc1)cc2c1OCCCO2

InChI

InChI=1S/C25H28N2O4/c28-23(26-19-9-10-21-22(15-19)31-14-6-13-30-21)16-25(11-4-1-5-12-25)27-17-18-7-2-3-8-20(18)24(27)29/h2-3,7-10,15H,1,4-6,11-14,16-17H2,(H,26,28)

InChI Key

HZRXRTUNQDXLDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.75

Polar Surface Area

55.252

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D750-0105 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D750-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D750-0105?
Check Price and Availability of D750-0105, 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 D750-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D750-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D750-0105
  • 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 D750-0105 available by request