Y031-3107 Screening compound: 2,4-dimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-3107 Screening compound: 2,4-dimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-3107 Screening compound: 2,4-dimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3107
2,4-dimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y031-3107

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

2,4-dimethoxy-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

24-dimethoxy-N-[5-(3-phenoxypropyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc(cc1)cc(OC)c1C(Nc1nnc(CCCOc2ccccc2)s1)=O

InChI

InChI=1S/C20H21N3O4S/c1-25-15-10-11-16(17(13-15)26-2)19(24)21-20-23-22-18(28-20)9-6-12-27-14-7-4-3-5-8-14/h3-5,7-8,10-11,13H,6,9,12H2,1-2H3,(H,21,23,24)

InChI Key

MJRYUBJESRPSML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.270

Distribution Coefficient, logD

2.629

Water Solubility, LogSw

-4.31

Polar Surface Area

69.690

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y031-3107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3107?
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What is the minimum amount of Y031-3107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3107
  • 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 Y031-3107 available by request