SC97-0096 Screening compound: 2-[(5-chloro-2-thienyl)sulfonyl]-10-isopropyl-2,6,10-triazaspiro[4.6]undecan-7-one

SC97-0096 Screening compound: 2-[(5-chloro-2-thienyl)sulfonyl]-10-isopropyl-2,6,10-triazaspiro[4.6]undecan-7-one
SC97-0096 Screening compound: 2-[(5-chloro-2-thienyl)sulfonyl]-10-isopropyl-2,6,10-triazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC97-0096
2-[(5-chloro-2-thienyl)sulfonyl]-10-isopropyl-2,6,10-triazaspiro[4.6]undecan-7-one

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

SC97-0096

Molecular Formula

C15H22ClN3O3S2 (C15 H22 ClN3 O3 S2)

Compound Name

2-[(5-chloro-2-thienyl)sulfonyl]-10-isopropyl-2,6,10-triazaspiro[4.6]undecan-7-one

IUPAC name

2-[(5-chlorothiophen-2-yl)sulfonyl]-10-(propan-2-yl)-2610-triazaspiro[4.6]undecan-7-one

SMILES

CC(C)N(CC1)CC(CC2)(CN2S(c(s2)ccc2Cl)(=O)=O)NC1=O

InChI

InChI=1S/C15H22ClN3O3S2/c1-11(2)18-7-5-13(20)17-15(9-18)6-8-19(10-15)24(21,22)14-4-3-12(16)23-14/h3-4,11H,5-10H2,1-2H3,(H,17,20)/t15-/m1/s1

InChI Key

CZVTXEOHPLGHGJ-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

-0.039

Water Solubility, LogSw

-2.90

Polar Surface Area

62.857

Acid Dissociation Constant (pKa)

15.01

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.67

SC97-0096 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 SC97-0096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC97-0096?
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What is the minimum amount of SC97-0096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC97-0096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC97-0096
  • 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 SC97-0096 available by request