D086-0298 Screening compound: methyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate

D086-0298 Screening compound: methyl 4-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]benzoate
D086-0298 Screening compound: methyl 4-[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 D086-0298
methyl 4-[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

D086-0298

Molecular Formula

C19H15N3O3S (C19 H15 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1N(CC1=O)C(N)=C1c1nc(cccc2)c2s1)=O

InChI

InChI=1S/C19H15N3O3S/c1-25-19(24)11-6-8-12(9-7-11)22-10-14(23)16(17(22)20)18-21-13-4-2-3-5-15(13)26-18/h2-9H,10,20H2,1H3

InChI Key

UUHOVFLIVHHKDL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03486007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.411

Distribution Coefficient, logD

3.411

Water Solubility, LogSw

-3.84

Polar Surface Area

67.593

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

References: we are preparing a list of scientific research reports with D086-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D086-0298?
Check Price and Availability of D086-0298, 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 D086-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D086-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D086-0298
  • 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 D086-0298 available by request