SC66-0107 Screening compound: N~1~-(3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide

SC66-0107 Screening compound: N~1~-(3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide
SC66-0107 Screening compound: N~1~-(3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0107
N~1~-(3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide

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

SC66-0107

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

N~1~-(3-{[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]carbonyl}phenyl)acetamide

IUPAC name

N-{3-[4-(4-methyl-4H-124-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decane-2-carbonyl]phenyl}acetamide

SMILES

CC(Nc1cccc(C(N(C2)CC3(CCOCC3)C2c2nncn2C)=O)c1)=O

InChI

InChI=1S/C20H25N5O3/c1-14(26)22-16-5-3-4-15(10-16)19(27)25-11-17(18-23-21-13-24(18)2)20(12-25)6-8-28-9-7-20/h3-5,10,13,17H,6-9,11-12H2,1-2H3,(H,22,26)/t17-/m0/s1

InChI Key

UETYTBPPLPVZEF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32257485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.173

Distribution Coefficient, logD

0.173

Water Solubility, LogSw

-2.05

Polar Surface Area

73.123

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SC66-0107 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 SC66-0107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0107?
Check Price and Availability of SC66-0107, 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 SC66-0107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0107
  • 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 SC66-0107 available by request