F187-0659 Screening compound: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2-chloro-4-fluorophenyl)methyl]benzamide

F187-0659 Screening compound: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2-chloro-4-fluorophenyl)methyl]benzamide
F187-0659 Screening compound: 3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2-chloro-4-fluorophenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F187-0659
3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2-chloro-4-fluorophenyl)methyl]benzamide

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

F187-0659

Molecular Formula

C25H18ClFN4O2S (C25 H18 ClFN4 O2 S)

Compound Name

3-[5-amino-4-(1,3-benzothiazol-2-yl)-3-oxo-2,3-dihydro-1H-pyrrol-1-yl]-N-[(2-chloro-4-fluorophenyl)methyl]benzamide

IUPAC name

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

SMILES

NC(N(CC1=O)c2cccc(C(NCc(ccc(F)c3)c3Cl)=O)c2)=C1c1nc(cccc2)c2s1

InChI

InChI=1S/C25H18ClFN4O2S/c26-18-11-16(27)9-8-15(18)12-29-24(33)14-4-3-5-17(10-14)31-13-20(32)22(23(31)28)25-30-19-6-1-2-7-21(19)34-25/h1-11H,12-13,28H2,(H,29,33)

InChI Key

DJXBXWOYWVJYEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27107994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.930

Distribution Coefficient, logD

4.930

Water Solubility, LogSw

-5.07

Polar Surface Area

70.833

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

F187-0659 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F187-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F187-0659?
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What is the minimum amount of F187-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F187-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F187-0659
  • 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 F187-0659 available by request