C200-4716 Screening compound: 4-tert-butyl-N-{3-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide

C200-4716 Screening compound: 4-tert-butyl-N-{3-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}benzamide
C200-4716 Screening compound: 4-tert-butyl-N-{3-[1-(3-methoxyphenyl)-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 C200-4716
4-tert-butyl-N-{3-[1-(3-methoxyphenyl)-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

C200-4716

Molecular Formula

C23H24N6O2S (C23 H24 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C(Nc1nc(-c2c(C)n(-c3cc(OC)ccc3)nn2)ns1)=O

InChI

InChI=1S/C23H24N6O2S/c1-14-19(26-28-29(14)17-7-6-8-18(13-17)31-5)20-24-22(32-27-20)25-21(30)15-9-11-16(12-10-15)23(2,3)4/h6-13H,1-5H3,(H,24,25,27,30)

InChI Key

YYEUYODMYIBLFM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.485

Distribution Coefficient, logD

5.479

Water Solubility, LogSw

-5.48

Polar Surface Area

78.304

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C200-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4716?
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What is the minimum amount of C200-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4716
  • 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 C200-4716 available by request