D048-0156 Screening compound: 2,2-dimethyl-N-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}propanamide

D048-0156 Screening compound: 2,2-dimethyl-N-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}propanamide
D048-0156 Screening compound: 2,2-dimethyl-N-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0156
2,2-dimethyl-N-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}propanamide

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

D048-0156

Molecular Formula

C14H19N5OS (C14 H19 N5 OS)

Compound Name

2,2-dimethyl-N-{2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}propanamide

IUPAC name

22-dimethyl-N-{2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}propanamide

SMILES

CC(C)(C)C(NCCSc1nnnn1-c1ccccc1)=O

InChI

InChI=1S/C14H19N5OS/c1-14(2,3)12(20)15-9-10-21-13-16-17-18-19(13)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,15,20)

InChI Key

KMXXBEQJAYRPFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06735816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.007

Distribution Coefficient, logD

2.007

Water Solubility, LogSw

-2.49

Polar Surface Area

64.687

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

5.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D048-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0156?
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What is the minimum amount of D048-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0156
  • 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 D048-0156 available by request