D178-0153 Screening compound: 2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid

D178-0153 Screening compound: 2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
D178-0153 Screening compound: 2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0153
2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid

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

D178-0153

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid

IUPAC name

2-({5-[(4-ethoxyphenyl)methyl]-4-methyl-4H-124-triazol-3-yl}sulfanyl)propanoic acid

SMILES

CCOc1ccc(Cc(n2C)nnc2SC(C)C(O)=O)cc1

InChI

InChI=1S/C15H19N3O3S/c1-4-21-12-7-5-11(6-8-12)9-13-16-17-15(18(13)3)22-10(2)14(19)20/h5-8,10H,4,9H2,1-3H3,(H,19,20)/t10-/m0/s1

InChI Key

NFHPACKKLRDARR-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14813639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.783

Distribution Coefficient, logD

-1.272

Water Solubility, LogSw

-2.36

Polar Surface Area

61.830

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

2.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D178-0153 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D178-0153 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0153?
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What is the minimum amount of D178-0153 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0153
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0153
  • 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 D178-0153 available by request