SC66-0290 Screening compound: 3-{2-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one

SC66-0290 Screening compound: 3-{2-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
SC66-0290 Screening compound: 3-{2-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC66-0290
3-{2-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-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

SC66-0290

Molecular Formula

C23H29N5O4 (C23 H29 N5 O4)

Compound Name

3-{2-[4-(4-isobutyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]dec-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one

IUPAC name

3-(2-{4-[4-(2-methylpropyl)-4H-124-triazol-3-yl]-8-oxa-2-azaspiro[4.5]decan-2-yl}-2-oxoethyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)Cn1c(C(CN(C2)C(CN(c(cccc3)c3O3)C3=O)=O)C22CCOCC2)nnc1

InChI

InChI=1S/C23H29N5O4/c1-16(2)11-27-15-24-25-21(27)17-12-26(14-23(17)7-9-31-10-8-23)20(29)13-28-18-5-3-4-6-19(18)32-22(28)30/h3-6,15-17H,7-14H2,1-2H3/t17-/m0/s1

InChI Key

TZAOONZOVLIJNE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32258916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.496

Distribution Coefficient, logD

1.496

Water Solubility, LogSw

-2.01

Polar Surface Area

71.878

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

SC66-0290 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC66-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC66-0290?
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What is the minimum amount of SC66-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC66-0290
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC66-0290
  • 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 SC66-0290 available by request