Y031-3242 Screening compound: 2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]butanamide

Y031-3242 Screening compound: 2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]butanamide
Y031-3242 Screening compound: 2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3242
2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]butanamide

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

Y031-3242

Molecular Formula

C16H21N3O2S (C16 H21 N3 O2 S)

Compound Name

2-methyl-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

2-methyl-N-[5-(3-phenoxypropyl)-134-thiadiazol-2-yl]butanamide

SMILES

CCC(C)C(Nc1nnc(CCCOc2ccccc2)s1)=O

InChI

InChI=1S/C16H21N3O2S/c1-3-12(2)15(20)17-16-19-18-14(22-16)10-7-11-21-13-8-5-4-6-9-13/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,17,19,20)/t12-/m0/s1

InChI Key

KTZMSZADZXWYIV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD07151591

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

3.909

Water Solubility, LogSw

-3.92

Polar Surface Area

54.788

Acid Dissociation Constant (pKa)

7.81

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with Y031-3242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3242?
Check Price and Availability of Y031-3242, 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 Y031-3242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3242
  • 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 Y031-3242 available by request