C301-6753 Screening compound: 3-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-3-propylurea

C301-6753 Screening compound: 3-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-3-propylurea
C301-6753 Screening compound: 3-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-6753
3-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-3-propylurea

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

C301-6753

Molecular Formula

C21H22BrN3O3S (C21 H22 BrN3 O3 S)

Compound Name

3-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-1-(3,4-dimethoxyphenyl)-3-propylurea

IUPAC name

3-[4-(3-bromophenyl)-13-thiazol-2-yl]-1-(34-dimethoxyphenyl)-3-propylurea

SMILES

CCCN(C(Nc(cc1)cc(OC)c1OC)=O)c1nc(-c2cccc(Br)c2)cs1

InChI

InChI=1S/C21H22BrN3O3S/c1-4-10-25(20(26)23-16-8-9-18(27-2)19(12-16)28-3)21-24-17(13-29-21)14-6-5-7-15(22)11-14/h5-9,11-13H,4,10H2,1-3H3,(H,23,26)

InChI Key

NEBTYSCTQMSKML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14744618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.168

Distribution Coefficient, logD

6.168

Water Solubility, LogSw

-5.48

Polar Surface Area

49.470

Acid Dissociation Constant (pKa)

13.45

Base Dissociation Constant (pKb)

0.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C301-6753 in Drug Discovery

Included in Screening Libraries

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:
  • Immune system
  • Cancer
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C301-6753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-6753?
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What is the minimum amount of C301-6753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-6753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-6753
  • 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 C301-6753 available by request