V015-9795 Screening compound: N~4~-benzyl-2-{[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]methyl}-4-morpholinecarboxamide

V015-9795 Screening compound: N~4~-benzyl-2-{[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]methyl}-4-morpholinecarboxamide
V015-9795 Screening compound: N~4~-benzyl-2-{[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]methyl}-4-morpholinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9795
N~4~-benzyl-2-{[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]methyl}-4-morpholinecarboxamide

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

V015-9795

Molecular Formula

C26H34N4O4 (C26 H34 N4 O4)

Compound Name

N~4~-benzyl-2-{[4-(2-phenoxyacetyl)-1,4-diazepan-1-yl]methyl}-4-morpholinecarboxamide

IUPAC name

N-benzyl-2-{[4-(2-phenoxyacetyl)-14-diazepan-1-yl]methyl}morpholine-4-carboxamide

SMILES

O=C(COc1ccccc1)N1CCN(CC(C2)OCCN2C(NCc2ccccc2)=O)CCC1

InChI

InChI=1S/C26H34N4O4/c31-25(21-34-23-10-5-2-6-11-23)29-13-7-12-28(14-15-29)19-24-20-30(16-17-33-24)26(32)27-18-22-8-3-1-4-9-22/h1-6,8-11,24H,7,12-21H2,(H,27,32)/t24-/m0/s1

InChI Key

ITZISLDADBNVHF-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19919451

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.501

Water Solubility, LogSw

-1.74

Polar Surface Area

62.551

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

6.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.15

V015-9795 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-9795 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9795?
Check Price and Availability of V015-9795, 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 V015-9795 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9795
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9795
  • 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 V015-9795 available by request