V009-2386 Screening compound: N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

V009-2386 Screening compound: N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide
V009-2386 Screening compound: N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-2386
N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

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

V009-2386

Molecular Formula

C29H30ClN5O6S (C29 H30 ClN5 O6 S)

Compound Name

N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

IUPAC name

N-benzyl-2-[8-(4-chloro-3-nitrobenzenesulfonyl)-4-oxo-1-phenyl-138-triazaspiro[4.5]decan-3-yl]-N-methylacetamide

SMILES

CN(Cc1ccccc1)C(CN(CN(C1(CC2)CCN2S(c(cc2)cc([N+]([O-])=O)c2Cl)(=O)=O)c2ccccc2)C1=O)=O

InChI

InChI=1S/C29H30ClN5O6S/c1-31(19-22-8-4-2-5-9-22)27(36)20-32-21-34(23-10-6-3-7-11-23)29(28(32)37)14-16-33(17-15-29)42(40,41)24-12-13-25(30)26(18-24)35(38)39/h2-13,18H,14-17,19-21H2,1H3

InChI Key

PIKFUYFENKYGLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19732513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

612.11

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.786

Distribution Coefficient, logD

4.786

Water Solubility, LogSw

-4.97

Polar Surface Area

100.942

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V009-2386 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 V009-2386 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-2386?
Check Price and Availability of V009-2386, 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 V009-2386 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-2386
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-2386
  • 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 V009-2386 available by request