C301-5585 Screening compound: ethyl (2E)-3-[(1,3-benzothiazol-2-yl)amino]but-2-enoate

C301-5585 Screening compound: ethyl (2E)-3-[(1,3-benzothiazol-2-yl)amino]but-2-enoate
C301-5585 Screening compound: ethyl (2E)-3-[(1,3-benzothiazol-2-yl)amino]but-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5585
ethyl (2E)-3-[(1,3-benzothiazol-2-yl)amino]but-2-enoate

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

C301-5585

Molecular Formula

C13H14N2O2S (C13 H14 N2 O2 S)

Compound Name

ethyl (2E)-3-[(1,3-benzothiazol-2-yl)amino]but-2-enoate

IUPAC name

ethyl (2E)-3-[(13-benzothiazol-2-yl)amino]but-2-enoate

SMILES

CCOC(/C=C(\C)/Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-9(2)14-13-15-10-6-4-5-7-11(10)18-13/h4-8H,3H2,1-2H3,(H,14,15)

InChI Key

PEXJJBDUEWAEDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.685

Distribution Coefficient, logD

3.618

Water Solubility, LogSw

-3.88

Polar Surface Area

37.987

Acid Dissociation Constant (pKa)

8.20

Base Dissociation Constant (pKb)

5.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C301-5585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5585?
Check Price and Availability of C301-5585, 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 C301-5585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5585
  • 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 C301-5585 available by request