SA46-1360 Screening compound: 3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one

SA46-1360 Screening compound: 3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one
SA46-1360 Screening compound: 3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA46-1360
3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-2,3-dihydro-1,3-benzoxazol-2-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

SA46-1360

Molecular Formula

C23H24ClN3O4 (C23 H24 ClN3 O4)

Compound Name

3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-2,3-dihydro-1,3-benzoxazol-2-one

IUPAC name

3-(2-{7-[benzyl(methyl)amino]-5-oxa-2-azaspiro[3.4]octan-2-yl}-2-oxoethyl)-6-chloro-23-dihydro-13-benzoxazol-2-one

SMILES

CN(Cc1ccccc1)C1COC(C2)(CN2C(CN(c(ccc(Cl)c2)c2O2)C2=O)=O)C1

InChI

InChI=1S/C23H24ClN3O4/c1-25(11-16-5-3-2-4-6-16)18-10-23(30-13-18)14-26(15-23)21(28)12-27-19-8-7-17(24)9-20(19)31-22(27)29/h2-9,18H,10-15H2,1H3/t18-/m1/s1

InChI Key

NRSVYRINFUUPLY-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32236210

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.889

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.51

Polar Surface Area

49.719

Acid Dissociation Constant (pKa)

20.88

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

SA46-1360 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA46-1360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA46-1360?
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What is the minimum amount of SA46-1360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA46-1360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA46-1360
  • 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 SA46-1360 available by request