D727-0570 Screening compound: 3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propan-1-ol

D727-0570 Screening compound: 3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propan-1-ol
D727-0570 Screening compound: 3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0570
3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propan-1-ol

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

D727-0570

Molecular Formula

C11H14N4OS (C11 H14 N4 OS)

Compound Name

3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-4-yl]propan-1-ol

IUPAC name

3-[3-(methylsulfanyl)-5-(pyridin-3-yl)-4H-124-triazol-4-yl]propan-1-ol

SMILES

CSc1nnc(-c2cnccc2)n1CCCO

InChI

InChI=1S/C11H14N4OS/c1-17-11-14-13-10(15(11)6-3-7-16)9-4-2-5-12-8-9/h2,4-5,8,16H,3,6-7H2,1H3

InChI Key

OYOGQZAPFYGQIC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09185010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.542

Water Solubility, LogSw

-0.69

Polar Surface Area

50.664

Acid Dissociation Constant (pKa)

15.88

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D727-0570 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with D727-0570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0570?
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What is the minimum amount of D727-0570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0570
  • 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 D727-0570 available by request