G193-0669 Screening compound: 3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

G193-0669 Screening compound: 3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide
G193-0669 Screening compound: 3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G193-0669
3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-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

G193-0669

Molecular Formula

C22H22N6O2S (C22 H22 N6 O2 S)

Compound Name

3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazol-4-yl}-1,2,4-thiadiazol-5-yl)benzamide

IUPAC name

3-methoxy-N-(3-{5-methyl-1-[4-(propan-2-yl)phenyl]-1H-123-triazol-4-yl}-124-thiadiazol-5-yl)benzamide

SMILES

CC(C)c(cc1)ccc1-n1nnc(-c2nsc(NC(c3cc(OC)ccc3)=O)n2)c1C

InChI

InChI=1S/C22H22N6O2S/c1-13(2)15-8-10-17(11-9-15)28-14(3)19(25-27-28)20-23-22(31-26-20)24-21(29)16-6-5-7-18(12-16)30-4/h5-13H,1-4H3,(H,23,24,26,29)

InChI Key

CBKFKPIIQYPBHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14983448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.52

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

4.932

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.69

Polar Surface Area

78.304

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

G193-0669 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G193-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G193-0669?
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What is the minimum amount of G193-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G193-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G193-0669
  • 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 G193-0669 available by request