Y031-0708 Screening compound: 4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

Y031-0708 Screening compound: 4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Y031-0708 Screening compound: 4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0708
4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-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

Y031-0708

Molecular Formula

C16H20N4O3S2 (C16 H20 N4 O3 S2)

Compound Name

4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-butanamido-N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

CCCC(Nc(cc1)ccc1C(Nc1nnc(SCCOC)s1)=O)=O

InChI

InChI=1S/C16H20N4O3S2/c1-3-4-13(21)17-12-7-5-11(6-8-12)14(22)18-15-19-20-16(25-15)24-10-9-23-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,21)(H,18,19,22)

InChI Key

FKYITUVAJNVICP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.45

Polar Surface Area

77.727

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y031-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0708?
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What is the minimum amount of Y031-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0708
  • 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 Y031-0708 available by request