4298-0282 Screening compound: 3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

4298-0282 Screening compound: 3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine
4298-0282 Screening compound: 3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4298-0282
3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

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

4298-0282

Molecular Formula

C12H16N4OS (C12 H16 N4 OS)

Compound Name

3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-4-amine

IUPAC name

3-({[4-(propan-2-yloxy)phenyl]methyl}sulfanyl)-4H-124-triazol-4-amine

SMILES

CC(C)Oc1ccc(CSc2nncn2N)cc1

InChI

InChI=1S/C12H16N4OS/c1-9(2)17-11-5-3-10(4-6-11)7-18-12-15-14-8-16(12)13/h3-6,8-9H,7,13H2,1-2H3

InChI Key

IDNVGYNFRFIJJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01048994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.470

Distribution Coefficient, logD

1.470

Water Solubility, LogSw

-2.00

Polar Surface Area

49.388

Acid Dissociation Constant (pKa)

19.35

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4298-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4298-0282?
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What is the minimum amount of 4298-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4298-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4298-0282
  • 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 4298-0282 available by request