Y505-4381 Screening compound: 2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate

Y505-4381 Screening compound: 2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate
Y505-4381 Screening compound: 2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y505-4381
2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate

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

Y505-4381

Molecular Formula

C21H21N3O4S2 (C21 H21 N3 O4 S2)

Compound Name

2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl 2-(benzoylamino)-4-(methylsulfanyl)butanoate

IUPAC name

n/a

SMILES

CSCCC(C(OCC(Nc1nc(cccc2)c2s1)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C21H21N3O4S2/c1-29-12-11-16(22-19(26)14-7-3-2-4-8-14)20(27)28-13-18(25)24-21-23-15-9-5-6-10-17(15)30-21/h2-10,16H,11-13H2,1H3,(H,22,26)(H,23,24,25)/t16-/m0/s1

InChI Key

GDEMURGCUKAEJN-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.448

Distribution Coefficient, logD

3.448

Water Solubility, LogSw

-3.78

Polar Surface Area

78.322

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.00

References: we are preparing a list of scientific research reports with Y505-4381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y505-4381?
Check Price and Availability of Y505-4381, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y505-4381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y505-4381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y505-4381
  • 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 Y505-4381 available by request