D178-0175 Screening compound: 2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid

D178-0175 Screening compound: 2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid
D178-0175 Screening compound: 2-({5-[(4-bromophenoxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D178-0175
2-({5-[(4-bromophenoxy)methyl]-4-phenyl-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

D178-0175

Molecular Formula

C18H16BrN3O3S (C18 H16 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(O)=O)Sc1nnc(COc(cc2)ccc2Br)n1-c1ccccc1

InChI

InChI=1S/C18H16BrN3O3S/c1-12(17(23)24)26-18-21-20-16(22(18)14-5-3-2-4-6-14)11-25-15-9-7-13(19)8-10-15/h2-10,12H,11H2,1H3,(H,23,24)/t12-/m0/s1

InChI Key

ASRPKFJGRKZRRZ-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02594199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.31

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

3.485

Distribution Coefficient, logD

0.430

Water Solubility, LogSw

-3.62

Polar Surface Area

61.868

Acid Dissociation Constant (pKa)

4.35

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

D178-0175 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D178-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D178-0175?
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What is the minimum amount of D178-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D178-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D178-0175
  • 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 D178-0175 available by request