Y030-8829 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide

Y030-8829 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide
Y030-8829 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8829
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide

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

Y030-8829

Molecular Formula

C22H25N3O5S (C22 H25 N3 O5 S)

Compound Name

N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3,4-diethoxybenzamide

IUPAC name

N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-34-diethoxybenzamide

SMILES

CCOc(ccc(C(Nc1nnc(Cc(cc2)cc(OC)c2OC)s1)=O)c1)c1OCC

InChI

InChI=1S/C22H25N3O5S/c1-5-29-17-10-8-15(13-19(17)30-6-2)21(26)23-22-25-24-20(31-22)12-14-7-9-16(27-3)18(11-14)28-4/h7-11,13H,5-6,12H2,1-4H3,(H,23,25,26)

InChI Key

AWDVFPYYZVLWSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.470

Distribution Coefficient, logD

3.419

Water Solubility, LogSw

-3.74

Polar Surface Area

76.780

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

Y030-8829 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-8829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8829?
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What is the minimum amount of Y030-8829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8829
  • 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 Y030-8829 available by request