Y030-6992 Screening compound: 4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

Y030-6992 Screening compound: 4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Y030-6992 Screening compound: 4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6992
4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-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

Y030-6992

Molecular Formula

C19H18N4O3S (C19 H18 N4 O3 S)

Compound Name

4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-acetamido-N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

CC(Nc(cc1)ccc1C(Nc1nnc(Cc(cc2)ccc2OC)s1)=O)=O

InChI

InChI=1S/C19H18N4O3S/c1-12(24)20-15-7-5-14(6-8-15)18(25)21-19-23-22-17(27-19)11-13-3-9-16(26-2)10-4-13/h3-10H,11H2,1-2H3,(H,20,24)(H,21,23,25)

InChI Key

NIXGAMIUFDBMSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-3.50

Polar Surface Area

77.904

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

Y030-6992 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y030-6992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6992?
Check Price and Availability of Y030-6992, 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 Y030-6992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6992
  • 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 Y030-6992 available by request