SC68-1312 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

SC68-1312 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone
SC68-1312 Screening compound: (4-chloro-2-methoxyphenyl)[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1312
(4-chloro-2-methoxyphenyl)[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-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

SC68-1312

Molecular Formula

C22H29ClN4O2 (C22 H29 ClN4 O2)

Compound Name

(4-chloro-2-methoxyphenyl)[4-(4-propyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]dec-2-yl]methanone

IUPAC name

2-(4-chloro-2-methoxybenzoyl)-4-(4-propyl-4H-124-triazol-3-yl)-2-azaspiro[4.5]decane

SMILES

CCCn1c(C(CN(C2)C(c(ccc(Cl)c3)c3OC)=O)C22CCCCC2)nnc1

InChI

InChI=1S/C22H29ClN4O2/c1-3-11-26-15-24-25-20(26)18-13-27(14-22(18)9-5-4-6-10-22)21(28)17-8-7-16(23)12-19(17)29-2/h7-8,12,15,18H,3-6,9-11,13-14H2,1-2H3/t18-/m0/s1

InChI Key

ACHFRVTVZKGLRD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32259912

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.728

Distribution Coefficient, logD

3.728

Water Solubility, LogSw

-4.24

Polar Surface Area

49.005

Acid Dissociation Constant (pKa)

22.05

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SC68-1312 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC68-1312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1312?
Check Price and Availability of SC68-1312, 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 SC68-1312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1312
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1312
  • 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 SC68-1312 available by request