D493-0171 Screening compound: 2-{[1-(4-methoxyphenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

D493-0171 Screening compound: 2-{[1-(4-methoxyphenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide
D493-0171 Screening compound: 2-{[1-(4-methoxyphenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D493-0171
2-{[1-(4-methoxyphenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

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

D493-0171

Molecular Formula

C21H19N5O2S2 (C21 H19 N5 O2 S2)

Compound Name

2-{[1-(4-methoxyphenyl)-4-phenyl-1,6-dihydro-1,3,5-triazin-2-yl]sulfanyl}-N-(1,3-thiazol-2-yl)acetamide

IUPAC name

2-{[1-(4-methoxyphenyl)-4-phenyl-16-dihydro-135-triazin-2-yl]sulfanyl}-N-(13-thiazol-2-yl)acetamide

SMILES

COc(cc1)ccc1N1C(SCC(Nc2nccs2)=O)=NC(c2ccccc2)=NC1

InChI

InChI=1S/C21H19N5O2S2/c1-28-17-9-7-16(8-10-17)26-14-23-19(15-5-3-2-4-6-15)25-21(26)30-13-18(27)24-20-22-11-12-29-20/h2-12H,13-14H2,1H3,(H,22,24,27)

InChI Key

QETZRJUZJPPJNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12962161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.380

Distribution Coefficient, logD

0.539

Water Solubility, LogSw

-4.26

Polar Surface Area

63.152

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

10.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D493-0171 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 D493-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D493-0171?
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What is the minimum amount of D493-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D493-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D493-0171
  • 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 D493-0171 available by request