5977-0125 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one

5977-0125 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one
5977-0125 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5977-0125
5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one

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

5977-0125

Molecular Formula

C18H15N3O2S (C18 H15 N3 O2 S)

Compound Name

5-amino-4-(1,3-benzothiazol-2-yl)-1-(4-methoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(13-benzothiazol-2-yl)-1-(4-methoxyphenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-23-12-8-6-11(7-9-12)21-10-14(22)16(17(21)19)18-20-13-4-2-3-5-15(13)24-18/h2-9H,10,19H2,1H3

InChI Key

BJECUPMXYARYIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02699236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.303

Distribution Coefficient, logD

3.303

Water Solubility, LogSw

-3.67

Polar Surface Area

53.963

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5977-0125 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5977-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5977-0125?
Check Price and Availability of 5977-0125, 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 5977-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5977-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5977-0125
  • 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 5977-0125 available by request