C301-6787 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-ethylurea

C301-6787 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-ethylurea
C301-6787 Screening compound: 3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-ethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6787
3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-ethylurea

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

C301-6787

Molecular Formula

C20H20BrN3OS (C20 H20 BrN3 OS)

Compound Name

3-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-1-(3,5-dimethylphenyl)-3-ethylurea

IUPAC name

3-[4-(4-bromophenyl)-13-thiazol-2-yl]-1-(35-dimethylphenyl)-3-ethylurea

SMILES

CCN(C(Nc1cc(C)cc(C)c1)=O)c1nc(-c(cc2)ccc2Br)cs1

InChI

InChI=1S/C20H20BrN3OS/c1-4-24(19(25)22-17-10-13(2)9-14(3)11-17)20-23-18(12-26-20)15-5-7-16(21)8-6-15/h5-12H,4H2,1-3H3,(H,22,25)

InChI Key

YAEIUGMXODCVHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12129391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.37

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

6.945

Distribution Coefficient, logD

6.945

Water Solubility, LogSw

-5.58

Polar Surface Area

33.955

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-6787 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 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 C301-6787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6787?
Check Price and Availability of C301-6787, 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 C301-6787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6787
  • 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 C301-6787 available by request