SC68-1651 Screening compound: 1-[4-({4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]dec-2-yl}carbonyl)piperidino]-1-ethanone

SC68-1651 Screening compound: 1-[4-({4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]dec-2-yl}carbonyl)piperidino]-1-ethanone
SC68-1651 Screening compound: 1-[4-({4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]dec-2-yl}carbonyl)piperidino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC68-1651
1-[4-({4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]dec-2-yl}carbonyl)piperidino]-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

SC68-1651

Molecular Formula

C23H35N5O2 (C23 H35 N5 O2)

Compound Name

1-[4-({4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-2-azaspiro[4.5]dec-2-yl}carbonyl)piperidino]-1-ethanone

IUPAC name

1-(4-{4-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-2-azaspiro[4.5]decane-2-carbonyl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(C1)CC2(CCCCC2)C1c1nncn1CC1CC1)=O)=O

InChI

InChI=1S/C23H35N5O2/c1-17(29)26-11-7-19(8-12-26)22(30)27-14-20(23(15-27)9-3-2-4-10-23)21-25-24-16-28(21)13-18-5-6-18/h16,18-20H,2-15H2,1H3/t20-/m0/s1

InChI Key

LIMRZBNATSLHEV-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.578

Distribution Coefficient, logD

1.578

Water Solubility, LogSw

-1.43

Polar Surface Area

59.036

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

82.61

SC68-1651 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 SC68-1651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC68-1651?
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What is the minimum amount of SC68-1651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC68-1651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC68-1651
  • 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 SC68-1651 available by request