C200-4850 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide

C200-4850 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide
C200-4850 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4850
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide

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

C200-4850

Molecular Formula

C22H20BrFN6OS (C22 H20 BrFN6 OS)

Compound Name

N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-tert-butylbenzamide

IUPAC name

N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}-4-tert-butylbenzamide

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nc(-c2c(C)n(-c(ccc(Br)c3)c3F)nn2)ns1)=O

InChI

InChI=1S/C22H20BrFN6OS/c1-12-18(27-29-30(12)17-10-9-15(23)11-16(17)24)19-25-21(32-28-19)26-20(31)13-5-7-14(8-6-13)22(2,3)4/h5-11H,1-4H3,(H,25,26,28,31)

InChI Key

KGGKIVHBALRNGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-5.54

Polar Surface Area

70.459

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

C200-4850 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-4850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4850?
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What is the minimum amount of C200-4850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4850
  • 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 C200-4850 available by request