D272-0207 Screening compound: {2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine

D272-0207 Screening compound: {2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine
D272-0207 Screening compound: {2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0207
{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)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

D272-0207

Molecular Formula

C18H17N5S (C18 H17 N5 S)

Compound Name

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

IUPAC name

{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}(3-phenylprop-2-yn-1-yl)amine

SMILES

C(CSc1nnnn1-c1ccccc1)NCC#Cc1ccccc1

InChI

InChI=1S/C18H17N5S/c1-3-8-16(9-4-1)10-7-13-19-14-15-24-18-20-21-22-23(18)17-11-5-2-6-12-17/h1-6,8-9,11-12,19H,13-15H2

InChI Key

LZUWCUCQOBEANV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434303

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

335.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.194

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.17

Polar Surface Area

51.609

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

7.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D272-0207 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D272-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0207?
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What is the minimum amount of D272-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0207
  • 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 D272-0207 available by request