F235-1187 Screening compound: 5-{[(thiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

F235-1187 Screening compound: 5-{[(thiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one
F235-1187 Screening compound: 5-{[(thiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F235-1187
5-{[(thiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-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

F235-1187

Molecular Formula

C12H11N3OS (C12 H11 N3 OS)

Compound Name

5-{[(thiophen-2-yl)methyl]amino}-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

n/a

SMILES

O=C1Nc(cc(cc2)NCc3cccs3)c2N1

InChI

InChI=1S/C12H11N3OS/c16-12-14-10-4-3-8(6-11(10)15-12)13-7-9-2-1-5-17-9/h1-6,13H,7H2,(H2,14,15,16)

InChI Key

IMRKTPVKHSGJLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01836806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.3

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.305

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.96

Polar Surface Area

47.218

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

3.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F235-1187 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with F235-1187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F235-1187?
Check Price and Availability of F235-1187, 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 F235-1187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F235-1187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F235-1187
  • 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 F235-1187 available by request