8006-4600 Screening compound: 2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-(acetylamino)-3-methylbutanoate

8006-4600 Screening compound: 2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-(acetylamino)-3-methylbutanoate
8006-4600 Screening compound: 2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-(acetylamino)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4600
2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-(acetylamino)-3-methylbutanoate

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

8006-4600

Molecular Formula

C13H20N4O4S2 (C13 H20 N4 O4 S2)

Compound Name

2-{[5-(ethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl 2-(acetylamino)-3-methylbutanoate

IUPAC name

{[5-(ethylsulfanyl)-134-thiadiazol-2-yl]carbamoyl}methyl 2-acetamido-3-methylbutanoate

SMILES

CCSc1nnc(NC(COC(C(C(C)C)NC(C)=O)=O)=O)s1

InChI

InChI=1S/C13H20N4O4S2/c1-5-22-13-17-16-12(23-13)15-9(19)6-21-11(20)10(7(2)3)14-8(4)18/h7,10H,5-6H2,1-4H3,(H,14,18)(H,15,16,19)/t10-/m0/s1

InChI Key

DLNJWKINUHGHKG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00825239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.096

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.62

Polar Surface Area

91.359

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.54

References: we are preparing a list of scientific research reports with 8006-4600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4600?
Check Price and Availability of 8006-4600, 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 8006-4600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4600
  • 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 8006-4600 available by request