Y030-8813 Screening compound: 4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate

Y030-8813 Screening compound: 4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate
Y030-8813 Screening compound: 4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8813
4-{[5-(pentan-3-yl)-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

Y030-8813

Molecular Formula

C16H19N3O3S (C16 H19 N3 O3 S)

Compound Name

4-{[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]carbamoyl}phenyl acetate

IUPAC name

4-{[5-(pentan-3-yl)-134-thiadiazol-2-yl]carbamoyl}phenyl acetate

SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-4-11(5-2)15-18-19-16(23-15)17-14(21)12-6-8-13(9-7-12)22-10(3)20/h6-9,11H,4-5H2,1-3H3,(H,17,19,21)

InChI Key

ADLYXEGBTVTYMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03929943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.498

Distribution Coefficient, logD

3.003

Water Solubility, LogSw

-3.65

Polar Surface Area

67.626

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y030-8813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8813?
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What is the minimum amount of Y030-8813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8813
  • 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 Y030-8813 available by request