D586-0052 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

D586-0052 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
D586-0052 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D586-0052
N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

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

D586-0052

Molecular Formula

C17H17N3O2S (C17 H17 N3 O2 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide

SMILES

Cc1nnc(NC(CCc2ccc(-c3ccc(C)cc3)o2)=O)s1

InChI

InChI=1S/C17H17N3O2S/c1-11-3-5-13(6-4-11)15-9-7-14(22-15)8-10-16(21)18-17-20-19-12(2)23-17/h3-7,9H,8,10H2,1-2H3,(H,18,20,21)

InChI Key

PMACVASBRRCVFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-3.68

Polar Surface Area

54.037

Acid Dissociation Constant (pKa)

7.77

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with D586-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D586-0052?
Check Price and Availability of D586-0052, 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 D586-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D586-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D586-0052
  • 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 D586-0052 available by request