SC66-0819 Screening compound: N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SC66-0819 Screening compound: N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SC66-0819 Screening compound: N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0819
N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

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

SC66-0819

Molecular Formula

C22H28ClN5O2 (C22 H28 ClN5 O2)

Compound Name

N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

IUPAC name

N-(2-chloro-4-methylphenyl)-4-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

SMILES

Cc(cc1)cc(Cl)c1NC(N(C1)CC2(CCOCC2)C1c1nncn1CC1CC1)=O

InChI

InChI=1S/C22H28ClN5O2/c1-15-2-5-19(18(23)10-15)25-21(29)27-12-17(22(13-27)6-8-30-9-7-22)20-26-24-14-28(20)11-16-3-4-16/h2,5,10,14,16-17H,3-4,6-9,11-13H2,1H3,(H,25,29)/t17-/m0/s1

InChI Key

UYOZSJYOVADGHV-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.44

Polar Surface Area

57.680

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

References: we are preparing a list of scientific research reports with SC66-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0819?
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What is the minimum amount of SC66-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0819
  • 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 SC66-0819 available by request