C301-6861 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea

C301-6861 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea
C301-6861 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6861
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea

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

C301-6861

Molecular Formula

C18H15BrFN3OS (C18 H15 BrFN3 OS)

Compound Name

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea

IUPAC name

3-[4-(4-bromophenyl)-13-thiazol-2-yl]-3-ethyl-1-(4-fluorophenyl)urea

SMILES

CCN(C(Nc(cc1)ccc1F)=O)c1nc(-c(cc2)ccc2Br)cs1

InChI

InChI=1S/C18H15BrFN3OS/c1-2-23(17(24)21-15-9-7-14(20)8-10-15)18-22-16(11-25-18)12-3-5-13(19)6-4-12/h3-11H,2H2,1H3,(H,21,24)

InChI Key

RHEANWBWRQYMMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.281

Distribution Coefficient, logD

6.281

Water Solubility, LogSw

-5.54

Polar Surface Area

33.955

Acid Dissociation Constant (pKa)

12.95

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C301-6861 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Epigenetics Focused Set (26518 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
Targets:
  • Proteases
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6861?
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What is the minimum amount of C301-6861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6861
  • 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 C301-6861 available by request