V008-4111 Screening compound: N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

V008-4111 Screening compound: N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
V008-4111 Screening compound: N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4111
N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[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

V008-4111

Molecular Formula

C29H41N3O2S (C29 H41 N3 O2 S)

Compound Name

N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide

IUPAC name

N-(adamantan-1-yl)-4-(4-tert-butylbenzoyl)-1-thia-48-diazaspiro[4.5]decane-8-carboxamide

SMILES

CC(C)(C)c(cc1)ccc1C(N1C(CC2)(CCN2C(NC2(CC(C3)C4)CC4CC3C2)=O)SCC1)=O

InChI

InChI=1S/C29H41N3O2S/c1-27(2,3)24-6-4-23(5-7-24)25(33)32-12-13-35-29(32)8-10-31(11-9-29)26(34)30-28-17-20-14-21(18-28)16-22(15-20)19-28/h4-7,20-22H,8-19H2,1-3H3,(H,30,34)

InChI Key

SDDDOJZKWHVVND-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.874

Distribution Coefficient, logD

5.873

Water Solubility, LogSw

-5.44

Polar Surface Area

42.950

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.40

V008-4111 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V008-4111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4111?
Check Price and Availability of V008-4111, 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 V008-4111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4111
  • 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 V008-4111 available by request