Y031-0582 Screening compound: 3,3-dimethyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]butanamide

Y031-0582 Screening compound: 3,3-dimethyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]butanamide
Y031-0582 Screening compound: 3,3-dimethyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0582
3,3-dimethyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]butanamide

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

Y031-0582

Molecular Formula

C13H23N3OS (C13 H23 N3 OS)

Compound Name

3,3-dimethyl-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]butanamide

IUPAC name

33-dimethyl-N-[5-(pentan-2-yl)-134-thiadiazol-2-yl]butanamide

SMILES

CCCC(C)c1nnc(NC(CC(C)(C)C)=O)s1

InChI

InChI=1S/C13H23N3OS/c1-6-7-9(2)11-15-16-12(18-11)14-10(17)8-13(3,4)5/h9H,6-8H2,1-5H3,(H,14,16,17)/t9-/m0/s1

InChI Key

FMRIJVHLNGECFR-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05996894

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.086

Distribution Coefficient, logD

3.906

Water Solubility, LogSw

-3.92

Polar Surface Area

46.933

Acid Dissociation Constant (pKa)

7.69

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

76.92

References: we are preparing a list of scientific research reports with Y031-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0582?
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What is the minimum amount of Y031-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0582
  • 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 Y031-0582 available by request