C200-8955 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

C200-8955 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine
C200-8955 Screening compound: 3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-8955
3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

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

C200-8955

Molecular Formula

C21H21N5O2S (C21 H21 N5 O2 S)

Compound Name

3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-(4-methoxyphenyl)-5-({[5-methyl-2-(4-methylphenyl)-13-oxazol-4-yl]methyl}sulfanyl)-4H-124-triazol-4-amine

SMILES

Cc1c(CSc2nnc(-c(cc3)ccc3OC)n2N)nc(-c2ccc(C)cc2)o1

InChI

InChI=1S/C21H21N5O2S/c1-13-4-6-16(7-5-13)20-23-18(14(2)28-20)12-29-21-25-24-19(26(21)22)15-8-10-17(27-3)11-9-15/h4-11H,12,22H2,1-3H3

InChI Key

FABVENHRYURZCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14728963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.194

Water Solubility, LogSw

-4.30

Polar Surface Area

67.805

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C200-8955 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-8955?
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What is the minimum amount of C200-8955 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-8955
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-8955
  • 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 C200-8955 available by request