Y030-5958 Screening compound: 4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

Y030-5958 Screening compound: 4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate
Y030-5958 Screening compound: 4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-5958
4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

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

Y030-5958

Molecular Formula

C15H17N3O3S (C15 H17 N3 O3 S)

Compound Name

4-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl acetate

IUPAC name

4-[(5-tert-butyl-134-thiadiazol-2-yl)carbamoyl]phenyl acetate

SMILES

CC(C)(C)c1nnc(NC(c(cc2)ccc2OC(C)=O)=O)s1

InChI

InChI=1S/C15H17N3O3S/c1-9(19)21-11-7-5-10(6-8-11)12(20)16-14-18-17-13(22-14)15(2,3)4/h5-8H,1-4H3,(H,16,18,20)

InChI Key

SULUIESKKJGURP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03575575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

2.609

Water Solubility, LogSw

-3.46

Polar Surface Area

67.626

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y030-5958 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y030-5958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-5958?
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What is the minimum amount of Y030-5958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-5958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-5958
  • 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 Y030-5958 available by request