D319-0827 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine

D319-0827 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine
D319-0827 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D319-0827
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine

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

D319-0827

Molecular Formula

C16H18N4O3S (C16 H18 N4 O3 S)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-(4-methyl-123-thiadiazole-5-carbonyl)piperazine

SMILES

Cc1c(C(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=O)snn1

InChI

InChI=1S/C16H18N4O3S/c1-11-15(24-18-17-11)16(21)20-6-4-19(5-7-20)9-12-2-3-13-14(8-12)23-10-22-13/h2-3,8H,4-7,9-10H2,1H3

InChI Key

JCZXMSCUNQXKID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02678984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.471

Distribution Coefficient, logD

1.286

Water Solubility, LogSw

-2.42

Polar Surface Area

59.986

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D319-0827 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 D319-0827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D319-0827?
Check Price and Availability of D319-0827, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D319-0827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D319-0827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D319-0827
  • 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 D319-0827 available by request