F187-0180 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-4,6-dimethoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one

F187-0180 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-4,6-dimethoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one
F187-0180 Screening compound: 5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-4,6-dimethoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F187-0180
5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-4,6-dimethoxyphenyl)-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

F187-0180

Molecular Formula

C19H16ClN3O3S (C19 H16 ClN3 O3 S)

Compound Name

5-amino-4-(1,3-benzothiazol-2-yl)-1-(2-chloro-4,6-dimethoxyphenyl)-2,3-dihydro-1H-pyrrol-3-one

IUPAC name

5-amino-4-(13-benzothiazol-2-yl)-1-(2-chloro-46-dimethoxyphenyl)-23-dihydro-1H-pyrrol-3-one

SMILES

COc(cc1OC)cc(Cl)c1N(CC1=O)C(N)=C1c1nc(cccc2)c2s1

InChI

InChI=1S/C19H16ClN3O3S/c1-25-10-7-11(20)17(14(8-10)26-2)23-9-13(24)16(18(23)21)19-22-12-5-3-4-6-15(12)27-19/h3-8H,9,21H2,1-2H3

InChI Key

YKYDTRVXKLBKQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.28

Polar Surface Area

60.992

Acid Dissociation Constant (pKa)

15.15

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F187-0180 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F187-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F187-0180?
Check Price and Availability of F187-0180, 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 F187-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F187-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F187-0180
  • 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 F187-0180 available by request