SB52-1469 Screening compound: 2-(2-chlorophenyl)-1-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone

SB52-1469 Screening compound: 2-(2-chlorophenyl)-1-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone
SB52-1469 Screening compound: 2-(2-chlorophenyl)-1-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB52-1469
2-(2-chlorophenyl)-1-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone

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

SB52-1469

Molecular Formula

C22H29ClN4O2 (C22 H29 ClN4 O2)

Compound Name

2-(2-chlorophenyl)-1-[3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl]-1-ethanone

IUPAC name

2-(2-chlorophenyl)-1-{2-methyl-3-[5-(propan-2-yl)-124-oxadiazol-3-yl]-28-diazaspiro[4.5]decan-8-yl}ethan-1-one

SMILES

CC(C)c1nc(C(C2)N(C)CC2(CC2)CCN2C(Cc(cccc2)c2Cl)=O)no1

InChI

InChI=1S/C22H29ClN4O2/c1-15(2)21-24-20(25-29-21)18-13-22(14-26(18)3)8-10-27(11-9-22)19(28)12-16-6-4-5-7-17(16)23/h4-7,15,18H,8-14H2,1-3H3/t18-/m1/s1

InChI Key

MHEMDJQIYWHABK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32248494

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-3.93

Polar Surface Area

51.643

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

8.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

SB52-1469 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with SB52-1469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB52-1469?
Check Price and Availability of SB52-1469, 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 SB52-1469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB52-1469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB52-1469
  • 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 SB52-1469 available by request