D272-0098 Screening compound: benzyl({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D272-0098 Screening compound: benzyl({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D272-0098 Screening compound: benzyl({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0098
benzyl({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})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

D272-0098

Molecular Formula

C16H17N5S (C16 H17 N5 S)

Compound Name

benzyl({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

benzyl({2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

C(CSc1nnnn1-c1ccccc1)NCc1ccccc1

InChI

InChI=1S/C16H17N5S/c1-3-7-14(8-4-1)13-17-11-12-22-16-18-19-20-21(16)15-9-5-2-6-10-15/h1-10,17H,11-13H2

InChI Key

AJRZBLXWDTYESR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434429

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

311.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

-0.067

Water Solubility, LogSw

-2.41

Polar Surface Area

51.768

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D272-0098 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D272-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0098?
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What is the minimum amount of D272-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0098
  • 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 D272-0098 available by request