Y043-0382 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanamide

Y043-0382 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanamide
Y043-0382 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-0382
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanamide

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

Y043-0382

Molecular Formula

C16H18N6O2S (C16 H18 N6 O2 S)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]hexanamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-6-(4-oxo-34-dihydro-123-benzotriazin-3-yl)hexanamide

SMILES

Cc1nnc(NC(CCCCCN2N=Nc(cccc3)c3C2=O)=O)s1

InChI

InChI=1S/C16H18N6O2S/c1-11-18-20-16(25-11)17-14(23)9-3-2-6-10-22-15(24)12-7-4-5-8-13(12)19-21-22/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,17,20,23)

InChI Key

KDUAAFQEPXSBCC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.016

Distribution Coefficient, logD

1.927

Water Solubility, LogSw

-2.85

Polar Surface Area

87.412

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with Y043-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-0382?
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What is the minimum amount of Y043-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-0382
  • 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 Y043-0382 available by request