Y030-9466 Screening compound: 3,4,5-triethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y030-9466 Screening compound: 3,4,5-triethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y030-9466 Screening compound: 3,4,5-triethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9466
3,4,5-triethoxy-N-[5-(2-phenylethyl)-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

Y030-9466

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

3,4,5-triethoxy-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

345-triethoxy-N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]benzamide

SMILES

CCOc1cc(C(Nc2nnc(CCc3ccccc3)s2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C23H27N3O4S/c1-4-28-18-14-17(15-19(29-5-2)21(18)30-6-3)22(27)24-23-26-25-20(31-23)13-12-16-10-8-7-9-11-16/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,24,26,27)

InChI Key

PNHVUTCWNHMITD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05661090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.003

Distribution Coefficient, logD

4.950

Water Solubility, LogSw

-4.57

Polar Surface Area

68.816

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with Y030-9466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9466?
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What is the minimum amount of Y030-9466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9466
  • 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 Y030-9466 available by request