SC69-0033 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

SC69-0033 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone
SC69-0033 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC69-0033
(4-chloro-2-methoxyphenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

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

SC69-0033

Molecular Formula

C19H23ClN4O2 (C19 H23 ClN4 O2)

Compound Name

(4-chloro-2-methoxyphenyl)[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]non-2-yl]methanone

IUPAC name

2-(4-chloro-2-methoxybenzoyl)-4-(4-methyl-4H-124-triazol-3-yl)-2-azaspiro[4.4]nonane

SMILES

Cn1c(C(C2)C3(CCCC3)CN2C(c(ccc(Cl)c2)c2OC)=O)nnc1

InChI

InChI=1S/C19H23ClN4O2/c1-23-12-21-22-17(23)15-10-24(11-19(15)7-3-4-8-19)18(25)14-6-5-13(20)9-16(14)26-2/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3/t15-/m0/s1

InChI Key

BJDPKDGOIWODEY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD32260771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-3.27

Polar Surface Area

49.949

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SC69-0033 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 SC69-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC69-0033?
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What is the minimum amount of SC69-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC69-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC69-0033
  • 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 SC69-0033 available by request