C200-4711 Screening compound: 4-tert-butyl-N-{3-[1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

C200-4711 Screening compound: 4-tert-butyl-N-{3-[1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
C200-4711 Screening compound: 4-tert-butyl-N-{3-[1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4711
4-tert-butyl-N-{3-[1-(2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

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

C200-4711

Molecular Formula

C22H21FN6OS (C22 H21 FN6 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nc(-c2c(C)n(-c(cccc3)c3F)nn2)ns1)=O

InChI

InChI=1S/C22H21FN6OS/c1-13-18(26-28-29(13)17-8-6-5-7-16(17)23)19-24-21(31-27-19)25-20(30)14-9-11-15(12-10-14)22(2,3)4/h5-12H,1-4H3,(H,24,25,27,30)

InChI Key

OFEJJLKCEUGPRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.51

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

5.305

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.29

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

References: we are preparing a list of scientific research reports with C200-4711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4711?
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What is the minimum amount of C200-4711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4711
  • 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 C200-4711 available by request