8015-8481 Screening compound: 3-(4-ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid

8015-8481 Screening compound: 3-(4-ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid
8015-8481 Screening compound: 3-(4-ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-8481
3-(4-ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid

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

8015-8481

Molecular Formula

C12H14N4O3 (C12 H14 N4 O3)

Compound Name

3-(4-ethoxyphenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid

IUPAC name

3-(4-ethoxyphenyl)-3-(1H-1234-tetrazol-1-yl)propanoic acid

SMILES

CCOc1ccc(C(CC(O)=O)n2nnnc2)cc1

InChI

InChI=1S/C12H14N4O3/c1-2-19-10-5-3-9(4-6-10)11(7-12(17)18)16-8-13-14-15-16/h3-6,8,11H,2,7H2,1H3,(H,17,18)/t11-/m0/s1

InChI Key

ATXWWQXGHKYBJB-NSHDSACASA-N

MDL Number (MFCD)

MFCD05258765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.903

Distribution Coefficient, logD

-1.885

Water Solubility, LogSw

-1.53

Polar Surface Area

75.048

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8015-8481 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8015-8481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-8481?
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What is the minimum amount of 8015-8481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-8481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-8481
  • 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 8015-8481 available by request