D086-0296 Screening compound: ethyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate

D086-0296 Screening compound: ethyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
D086-0296 Screening compound: ethyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D086-0296
ethyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate

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

D086-0296

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

ethyl 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate

IUPAC name

ethyl 3-[5-amino-4-(13-benzothiazol-2-yl)-3-oxo-23-dihydro-1H-pyrrol-1-yl]benzoate

SMILES

CCOC(c1cccc(N(CC2=O)C(N)=C2c2nc(cccc3)c3s2)c1)=O

InChI

InChI=1S/C20H17N3O3S/c1-2-26-20(25)12-6-5-7-13(10-12)23-11-15(24)17(18(23)21)19-22-14-8-3-4-9-16(14)27-19/h3-10H,2,11,21H2,1H3

InChI Key

MPRHYOFYMWMEIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07189637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.891

Distribution Coefficient, logD

3.891

Water Solubility, LogSw

-4.11

Polar Surface Area

67.173

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with D086-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0296?
Check Price and Availability of D086-0296, 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 D086-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0296
  • 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 D086-0296 available by request