4075-3217 Screening compound: 2,7-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol

4075-3217 Screening compound: 2,7-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol
4075-3217 Screening compound: 2,7-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3217
2,7-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-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

4075-3217

Molecular Formula

C15H27N3OS (C15 H27 N3 OS)

Compound Name

2,7-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]octan-2-ol

IUPAC name

27-dimethyl-4-[4-(prop-2-en-1-yl)-5-sulfanyl-4H-124-triazol-3-yl]octan-2-ol

SMILES

CC(C)CCC(CC(C)(C)O)c(n1CC=C)nnc1S

InChI

InChI=1S/C15H27N3OS/c1-6-9-18-13(16-17-14(18)20)12(8-7-11(2)3)10-15(4,5)19/h6,11-12,19H,1,7-10H2,2-5H3,(H,17,20)/t12-/m0/s1

InChI Key

RJWQBXHNZUOUFK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01211493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.160

Water Solubility, LogSw

-3.42

Polar Surface Area

39.423

Acid Dissociation Constant (pKa)

7.18

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.30

4075-3217 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4075-3217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3217?
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What is the minimum amount of 4075-3217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3217
  • 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 4075-3217 available by request