V014-9977 Screening compound: N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

V014-9977 Screening compound: N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide
V014-9977 Screening compound: N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9977
N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-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

V014-9977

Molecular Formula

C27H37N5O3 (C27 H37 N5 O3)

Compound Name

N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decane-8-carboxamide

IUPAC name

N-(adamantan-1-yl)-3-[(methylcarbamoyl)methyl]-4-oxo-1-phenyl-138-triazaspiro[4.5]decane-8-carboxamide

SMILES

CNC(CN(CN(C1(CC2)CCN2C(NC2(CC(C3)C4)CC4CC3C2)=O)c2ccccc2)C1=O)=O

InChI

InChI=1S/C27H37N5O3/c1-28-23(33)17-31-18-32(22-5-3-2-4-6-22)27(24(31)34)7-9-30(10-8-27)25(35)29-26-14-19-11-20(15-26)13-21(12-19)16-26/h2-6,19-21H,7-18H2,1H3,(H,28,33)(H,29,35)

InChI Key

PLFKWTHJSRAYNI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.39

Polar Surface Area

71.636

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

V014-9977 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V014-9977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9977?
Check Price and Availability of V014-9977, 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 V014-9977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9977
  • 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 V014-9977 available by request