D453-0721 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethylbutanoate

D453-0721 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethylbutanoate
D453-0721 Screening compound: 3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0721
3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethylbutanoate

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

D453-0721

Molecular Formula

C13H16N4O2 (C13 H16 N4 O2)

Compound Name

3-(1H-1,2,3,4-tetrazol-1-yl)phenyl 2-ethylbutanoate

IUPAC name

3-(1H-1234-tetrazol-1-yl)phenyl 2-ethylbutanoate

SMILES

CCC(CC)C(Oc1cc(-n2nnnc2)ccc1)=O

InChI

InChI=1S/C13H16N4O2/c1-3-10(4-2)13(18)19-12-7-5-6-11(8-12)17-9-14-15-16-17/h5-10H,3-4H2,1-2H3

InChI Key

JZYFISXVEHXTGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.19

Polar Surface Area

60.653

Acid Dissociation Constant (pKa)

21.66

Base Dissociation Constant (pKb)

-2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

D453-0721 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D453-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0721?
Check Price and Availability of D453-0721, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D453-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0721
  • 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 D453-0721 available by request