D353-0842 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

D353-0842 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide
D353-0842 Screening compound: 2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D353-0842
2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

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

D353-0842

Molecular Formula

C15H17N3O4S (C15 H17 N3 O4 S)

Compound Name

2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

IUPAC name

2-{[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]sulfanyl}-N-tert-butylacetamide

SMILES

CC(C)(C)NC(CSc1nnc(-c(cc2)cc3c2OCO3)o1)=O

InChI

InChI=1S/C15H17N3O4S/c1-15(2,3)16-12(19)7-23-14-18-17-13(22-14)9-4-5-10-11(6-9)21-8-20-10/h4-6H,7-8H2,1-3H3,(H,16,19)

InChI Key

LGIPOAALQSCTLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03979792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.332

Water Solubility, LogSw

-2.93

Polar Surface Area

70.746

Acid Dissociation Constant (pKa)

15.35

Base Dissociation Constant (pKb)

5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D353-0842 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D353-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D353-0842?
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What is the minimum amount of D353-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D353-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D353-0842
  • 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 D353-0842 available by request