SC66-0752 Screening compound: 2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-1-ethanone

SC66-0752 Screening compound: 2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-1-ethanone
SC66-0752 Screening compound: 2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0752
2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]dec-2-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

SC66-0752

Molecular Formula

C22H27ClN4O2 (C22 H27 ClN4 O2)

Compound Name

2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]-8-oxa-2-azaspiro[4.5]dec-2-yl}-1-ethanone

IUPAC name

2-(2-chlorophenyl)-1-{4-[4-(cyclopropylmethyl)-4H-124-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}ethan-1-one

SMILES

O=C(Cc(cccc1)c1Cl)N(C1)CC2(CCOCC2)C1c1nncn1CC1CC1

InChI

InChI=1S/C22H27ClN4O2/c23-19-4-2-1-3-17(19)11-20(28)26-13-18(22(14-26)7-9-29-10-8-22)21-25-24-15-27(21)12-16-5-6-16/h1-4,15-16,18H,5-14H2/t18-/m0/s1

InChI Key

QGBRLYGEWPGPMJ-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.93

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

2.702

Distribution Coefficient, logD

2.702

Water Solubility, LogSw

-3.28

Polar Surface Area

49.029

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

2.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

References: we are preparing a list of scientific research reports with SC66-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0752?
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What is the minimum amount of SC66-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0752
  • 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 SC66-0752 available by request