SC69-0889 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

SC69-0889 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane
SC69-0889 Screening compound: 2-[(4-chlorobenzyl)sulfonyl]-4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0889
2-[(4-chlorobenzyl)sulfonyl]-4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

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

SC69-0889

Molecular Formula

C20H25ClN4O2S (C20 H25 ClN4 O2 S)

Compound Name

2-[(4-chlorobenzyl)sulfonyl]-4-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane

IUPAC name

2-[(4-chlorophenyl)methanesulfonyl]-4-(4-cyclopropyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonane

SMILES

O=S(Cc(cc1)ccc1Cl)(N(C1)CC2(CCCC2)C1c1nncn1C1CC1)=O

InChI

InChI=1S/C20H25ClN4O2S/c21-16-5-3-15(4-6-16)12-28(26,27)24-11-18(20(13-24)9-1-2-10-20)19-23-22-14-25(19)17-7-8-17/h3-6,14,17-18H,1-2,7-13H2/t18-/m0/s1

InChI Key

DUQDGCNDYJTUOZ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.634

Distribution Coefficient, logD

2.634

Water Solubility, LogSw

-3.29

Polar Surface Area

57.071

Acid Dissociation Constant (pKa)

19.34

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

SC69-0889 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC69-0889 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0889?
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What is the minimum amount of SC69-0889 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0889
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0889
  • 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 SC69-0889 available by request