4347-7761 Screening compound: N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-fluorobenzamide

4347-7761 Screening compound: N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-fluorobenzamide
4347-7761 Screening compound: N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4347-7761
N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-fluorobenzamide

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

4347-7761

Molecular Formula

C12H12FN3O2S (C12 H12 FN3 O2 S)

Compound Name

N-[2-(4,5-dihydro-1,3-thiazol-2-ylamino)-2-oxoethyl]-4-fluorobenzamide

IUPAC name

N-(45-dihydro-13-thiazol-2-yl)-2-[(4-fluorophenyl)formamido]acetamide

SMILES

O=C(CNC(c(cc1)ccc1F)=O)NC1=NCCS1

InChI

InChI=1S/C12H12FN3O2S/c13-9-3-1-8(2-4-9)11(18)15-7-10(17)16-12-14-5-6-19-12/h1-4H,5-7H2,(H,15,18)(H,14,16,17)

InChI Key

BOYQCFHBZRVNSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03447414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.296

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-2.20

Polar Surface Area

57.248

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4347-7761 in Drug Discovery

Included in Screening Libraries

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

Fragments Library (11262 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4347-7761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4347-7761?
Check Price and Availability of 4347-7761, 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 4347-7761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4347-7761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4347-7761
  • 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 4347-7761 available by request