F091-1094 Screening compound: 5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-1,3-thiazole-2,4-diamine

F091-1094 Screening compound: 5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-1,3-thiazole-2,4-diamine
F091-1094 Screening compound: 5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-1,3-thiazole-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound F091-1094
5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-1,3-thiazole-2,4-diamine

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

F091-1094

Molecular Formula

C19H18BrN3OS (C19 H18 BrN3 OS)

Compound Name

5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-1,3-thiazole-2,4-diamine

IUPAC name

5-(3-bromobenzoyl)-N2-[4-(propan-2-yl)phenyl]-13-thiazole-24-diamine

SMILES

CC(C)c(cc1)ccc1Nc1nc(N)c(C(c2cccc(Br)c2)=O)s1

InChI

InChI=1S/C19H18BrN3OS/c1-11(2)12-6-8-15(9-7-12)22-19-23-18(21)17(25-19)16(24)13-4-3-5-14(20)10-13/h3-11H,21H2,1-2H3,(H,22,23)

InChI Key

ZBWAOEPCQFHSKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.420

Distribution Coefficient, logD

6.420

Water Solubility, LogSw

-5.70

Polar Surface Area

53.361

Acid Dissociation Constant (pKa)

18.72

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

F091-1094 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F091-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F091-1094?
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What is the minimum amount of F091-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F091-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F091-1094
  • 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 F091-1094 available by request