D344-9231 Screening compound: 7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

D344-9231 Screening compound: 7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
D344-9231 Screening compound: 7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-9231
7-({[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)-2-propyl-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

D344-9231

Molecular Formula

C17H14N6O4S2 (C17 H14 N6 O4 S2)

Compound Name

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

IUPAC name

7-({[5-(4-nitrophenyl)-134-oxadiazol-2-yl]sulfanyl}methyl)-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-5-one

SMILES

CCCC(SC1=NC(CSc2nnc(-c(cc3)ccc3[N+]([O-])=O)o2)=C2)=NN1C2=O

InChI

InChI=1S/C17H14N6O4S2/c1-2-3-13-21-22-14(24)8-11(18-16(22)29-13)9-28-17-20-19-15(27-17)10-4-6-12(7-5-10)23(25)26/h4-8H,2-3,9H2,1H3

InChI Key

FSMXKPKADUGJGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.47

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.321

Water Solubility, LogSw

-3.70

Polar Surface Area

101.653

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D344-9231 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 D344-9231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-9231?
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What is the minimum amount of D344-9231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-9231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-9231
  • 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 D344-9231 available by request