8015-7506 Screening compound: ethyl (E)-3-amino-2-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2-butenoate

8015-7506 Screening compound: ethyl (E)-3-amino-2-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2-butenoate
8015-7506 Screening compound: ethyl (E)-3-amino-2-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2-butenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7506
ethyl (E)-3-amino-2-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2-butenoate

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

8015-7506

Molecular Formula

C16H16ClN3O4S (C16 H16 ClN3 O4 S)

Compound Name

ethyl (E)-3-amino-2-(2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetyl)-2-butenoate

IUPAC name

ethyl (2E)-3-amino-2-(2-{[5-(4-chlorophenyl)-134-oxadiazol-2-yl]sulfanyl}acetyl)but-2-enoate

SMILES

CCOC(/C(/C(CSc1nnc(-c(cc2)ccc2Cl)o1)=O)=C(\C)/N)=O

InChI

InChI=1S/C16H16ClN3O4S/c1-3-23-15(22)13(9(2)18)12(21)8-25-16-20-19-14(24-16)10-4-6-11(17)7-5-10/h4-7H,3,8,18H2,1-2H3

InChI Key

GSCIBHZADSBGQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05258138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

2.756

Water Solubility, LogSw

-3.33

Polar Surface Area

84.862

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8015-7506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7506?
Check Price and Availability of 8015-7506, 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 8015-7506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7506
  • 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 8015-7506 available by request