D453-0627 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl propanoate

D453-0627 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl propanoate
D453-0627 Screening compound: 4-(1H-1,2,3,4-tetrazol-1-yl)phenyl propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D453-0627
4-(1H-1,2,3,4-tetrazol-1-yl)phenyl propanoate

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

D453-0627

Molecular Formula

C10H10N4O2 (C10 H10 N4 O2)

Compound Name

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

IUPAC name

4-(1H-1234-tetrazol-1-yl)phenyl propanoate

SMILES

CCC(Oc(cc1)ccc1-n1nnnc1)=O

InChI

InChI=1S/C10H10N4O2/c1-2-10(15)16-9-5-3-8(4-6-9)14-7-11-12-13-14/h3-7H,2H2,1H3

InChI Key

AAKMYTUQUZLQRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12918830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.22

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.613

Distribution Coefficient, logD

1.613

Water Solubility, LogSw

-2.03

Polar Surface Area

60.058

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D453-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D453-0627?
Check Price and Availability of D453-0627, 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 D453-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D453-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D453-0627
  • 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 D453-0627 available by request