V028-2645 Screening compound: 1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

V028-2645 Screening compound: 1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide
V028-2645 Screening compound: 1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-2645
1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

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

V028-2645

Molecular Formula

C31H43N5OS (C31 H43 N5 OS)

Compound Name

1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-1,4,8-triazaspiro[4.5]decane-8-carbothioamide

IUPAC name

1-(1-benzylpiperidin-4-yl)-3-(butan-2-yl)-N-(3-methylphenyl)-2-oxo-148-triazaspiro[4.5]decane-8-carbothioamide

SMILES

CCC(C)C1NC(CC2)(CCN2C(Nc2cc(C)ccc2)=S)N(C2CCN(Cc3ccccc3)CC2)C1=O

InChI

InChI=1S/C31H43N5OS/c1-4-24(3)28-29(37)36(27-13-17-34(18-14-27)22-25-10-6-5-7-11-25)31(33-28)15-19-35(20-16-31)30(38)32-26-12-8-9-23(2)21-26/h5-12,21,24,27-28,33H,4,13-20,22H2,1-3H3,(H,32,38)

InChI Key

GTCWYRVCLZXQMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19817566

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.355

Distribution Coefficient, logD

3.141

Water Solubility, LogSw

-5.21

Polar Surface Area

42.226

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

9.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.80

V028-2645 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 V028-2645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-2645?
Check Price and Availability of V028-2645, 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 V028-2645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-2645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-2645
  • 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 V028-2645 available by request