D272-0113 Screening compound: {[4-(benzyloxy)phenyl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D272-0113 Screening compound: {[4-(benzyloxy)phenyl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D272-0113 Screening compound: {[4-(benzyloxy)phenyl]methyl}({2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D272-0113
{[4-(benzyloxy)phenyl]methyl}({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

D272-0113

Molecular Formula

C23H23N5OS (C23 H23 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

C(CSc1nnnn1-c1ccccc1)NCc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C23H23N5OS/c1-3-7-20(8-4-1)18-29-22-13-11-19(12-14-22)17-24-15-16-30-23-25-26-27-28(23)21-9-5-2-6-10-21/h1-14,24H,15-18H2

InChI Key

BSTYMSJRZUIZJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07434298

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

1.607

Water Solubility, LogSw

-4.19

Polar Surface Area

58.995

Acid Dissociation Constant (pKa)

25.64

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with D272-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D272-0113?
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What is the minimum amount of D272-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D272-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D272-0113
  • 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 D272-0113 available by request