Y030-9853 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide

Y030-9853 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide
Y030-9853 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9853
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-4-pentanamidobenzamide

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

Y030-9853

Molecular Formula

C23H26N4O4S (C23 H26 N4 O4 S)

Compound Name

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

IUPAC name

N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-4-pentanamidobenzamide

SMILES

CCCCC(Nc(cc1)ccc1C(Nc1nnc(Cc(cc2)cc(OC)c2OC)s1)=O)=O

InChI

InChI=1S/C23H26N4O4S/c1-4-5-6-20(28)24-17-10-8-16(9-11-17)22(29)25-23-27-26-21(32-23)14-15-7-12-18(30-2)19(13-15)31-3/h7-13H,4-6,14H2,1-3H3,(H,24,28)(H,25,27,29)

InChI Key

MIVITDQQBRYYAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04278507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-4.07

Polar Surface Area

85.508

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

Y030-9853 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with Y030-9853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9853?
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What is the minimum amount of Y030-9853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9853
  • 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 Y030-9853 available by request