SC96-0823 Screening compound: 10-{[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

SC96-0823 Screening compound: 10-{[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one
SC96-0823 Screening compound: 10-{[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC96-0823
10-{[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[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

SC96-0823

Molecular Formula

C22H27ClN4O4 (C22 H27 ClN4 O4)

Compound Name

10-{[3-(2-chlorophenyl)-1H-pyrazol-5-yl]carbonyl}-6-(3-methoxypropyl)-2-oxa-6,10-diazaspiro[4.6]undecan-7-one

IUPAC name

10-[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-6-(3-methoxypropyl)-2-oxa-610-diazaspiro[4.6]undecan-7-one

SMILES

COCCCN(C1(COCC1)CN(CC1)C(c2cc(-c(cccc3)c3Cl)n[nH]2)=O)C1=O

InChI

InChI=1S/C22H27ClN4O4/c1-30-11-4-9-27-20(28)7-10-26(14-22(27)8-12-31-15-22)21(29)19-13-18(24-25-19)16-5-2-3-6-17(16)23/h2-3,5-6,13H,4,7-12,14-15H2,1H3,(H,24,25)/t22-/m1/s1

InChI Key

MQFBABTXFJZEMV-JOCHJYFZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.93

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.326

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-3.48

Polar Surface Area

72.931

Acid Dissociation Constant (pKa)

6.01

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC96-0823 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 SC96-0823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC96-0823?
Check Price and Availability of SC96-0823, 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 SC96-0823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC96-0823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC96-0823
  • 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 SC96-0823 available by request