Y042-4437 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide

Y042-4437 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide
Y042-4437 Screening compound: 4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-4437
4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-(5-phenethyl-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

Y042-4437

Molecular Formula

C21H20N6O2S (C21 H20 N6 O2 S)

Compound Name

4-[4-oxo-1,2,3-benzotriazin-3(4H)-yl]-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)butanamide

IUPAC name

4-(4-oxo-34-dihydro-123-benzotriazin-3-yl)-N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]butanamide

SMILES

O=C(CCCN1N=Nc(cccc2)c2C1=O)Nc1nnc(CCc2ccccc2)s1

InChI

InChI=1S/C21H20N6O2S/c28-18(11-6-14-27-20(29)16-9-4-5-10-17(16)23-26-27)22-21-25-24-19(30-21)13-12-15-7-2-1-3-8-15/h1-5,7-10H,6,11-14H2,(H,22,25,28)

InChI Key

RZBFCLIWZGROJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16626105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.322

Distribution Coefficient, logD

3.240

Water Solubility, LogSw

-3.81

Polar Surface Area

87.829

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

References: we are preparing a list of scientific research reports with Y042-4437 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-4437?
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What is the minimum amount of Y042-4437 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-4437
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-4437
  • 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 Y042-4437 available by request