V016-6980 Screening compound: ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)propanoate

V016-6980 Screening compound: ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)propanoate
V016-6980 Screening compound: ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6980
ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)propanoate

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

V016-6980

Molecular Formula

C12H17N3O5S2 (C12 H17 N3 O5 S2)

Compound Name

ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}carbamoyl)propanoate

IUPAC name

ethyl 3-({5-[(2-ethoxy-2-oxoethyl)sulfanyl]-134-thiadiazol-2-yl}carbamoyl)propanoate

SMILES

CCOC(CCC(Nc1nnc(SCC(OCC)=O)s1)=O)=O

InChI

InChI=1S/C12H17N3O5S2/c1-3-19-9(17)6-5-8(16)13-11-14-15-12(22-11)21-7-10(18)20-4-2/h3-7H2,1-2H3,(H,13,14,16)

InChI Key

XKGRJOQPDNEIQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10456789

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.786

Distribution Coefficient, logD

1.783

Water Solubility, LogSw

-2.28

Polar Surface Area

86.611

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.30

References: we are preparing a list of scientific research reports with V016-6980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6980?
Check Price and Availability of V016-6980, 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 V016-6980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6980
  • 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 V016-6980 available by request