C200-5024 Screening compound: methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

C200-5024 Screening compound: methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate
C200-5024 Screening compound: methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5024
methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

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

C200-5024

Molecular Formula

C21H18N6O4S (C21 H18 N6 O4 S)

Compound Name

methyl 4-{4-[5-(2-methoxybenzamido)-1,2,4-thiadiazol-3-yl]-5-methyl-1H-1,2,3-triazol-1-yl}benzoate

IUPAC name

methyl 4-{4-[5-(2-methoxybenzamido)-124-thiadiazol-3-yl]-5-methyl-1H-123-triazol-1-yl}benzoate

SMILES

Cc1c(-c2nsc(NC(c(cccc3)c3OC)=O)n2)nnn1-c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C21H18N6O4S/c1-12-17(24-26-27(12)14-10-8-13(9-11-14)20(29)31-3)18-22-21(32-25-18)23-19(28)15-6-4-5-7-16(15)30-2/h4-11H,1-3H3,(H,22,23,25,28)

InChI Key

IOUFAFAEHZXYEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.374

Water Solubility, LogSw

-3.95

Polar Surface Area

99.565

Acid Dissociation Constant (pKa)

8.13

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C200-5024 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 C200-5024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5024?
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What is the minimum amount of C200-5024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5024
  • 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 C200-5024 available by request