Y040-8603 Screening compound: 4-(methylsulfanyl)-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]butanoic acid

Y040-8603 Screening compound: 4-(methylsulfanyl)-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]butanoic acid
Y040-8603 Screening compound: 4-(methylsulfanyl)-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8603
4-(methylsulfanyl)-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]butanoic acid

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

Y040-8603

Molecular Formula

C16H20N4O4S (C16 H20 N4 O4 S)

Compound Name

4-(methylsulfanyl)-2-[4-(4-oxo-3,4-dihydro-1,2,3-benzotriazin-3-yl)butanamido]butanoic acid

IUPAC name

(2S)-4-(methylsulfanyl)-2-[4-(4-oxo-34-dihydro-123-benzotriazin-3-yl)butanamido]butanoic acid

SMILES

CSCCC(C(O)=O)NC(CCCN1N=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C16H20N4O4S/c1-25-10-8-13(16(23)24)17-14(21)7-4-9-20-15(22)11-5-2-3-6-12(11)18-19-20/h2-3,5-6,13H,4,7-10H2,1H3,(H,17,21)(H,23,24)/t13-/m0/s1

InChI Key

ZQQUZQLXTIQAEK-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.095

Distribution Coefficient, logD

-3.523

Water Solubility, LogSw

-2.24

Polar Surface Area

93.693

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with Y040-8603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8603?
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What is the minimum amount of Y040-8603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8603
  • 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 Y040-8603 available by request