D353-0752 Screening compound: 7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

D353-0752 Screening compound: 7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
D353-0752 Screening compound: 7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D353-0752
7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-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

D353-0752

Molecular Formula

C17H13N5O4S2 (C17 H13 N5 O4 S2)

Compound Name

7-({[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

IUPAC name

7-({[5-(2H-13-benzodioxol-5-yl)-134-oxadiazol-2-yl]sulfanyl}methyl)-2-ethyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCC(SC1=NC(CSc2nnc(-c(cc3)cc4c3OCO4)o2)=C2)=NN1C2=O

InChI

InChI=1S/C17H13N5O4S2/c1-2-13-21-22-14(23)6-10(18-16(22)28-13)7-27-17-20-19-15(26-17)9-3-4-11-12(5-9)25-8-24-11/h3-6H,2,7-8H2,1H3

InChI Key

AGEMILMEBQWVTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07680693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.700

Water Solubility, LogSw

-3.07

Polar Surface Area

85.387

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D353-0752 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D353-0752 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D353-0752?
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What is the minimum amount of D353-0752 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D353-0752
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D353-0752
  • 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 D353-0752 available by request