8019-4771 Screening compound: 2-[5-(3-acetamido-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

8019-4771 Screening compound: 2-[5-(3-acetamido-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid
8019-4771 Screening compound: 2-[5-(3-acetamido-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4771
2-[5-(3-acetamido-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic 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

8019-4771

Molecular Formula

C12H13N5O4 (C12 H13 N5 O4)

Compound Name

2-[5-(3-acetamido-4-methoxyphenyl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid

IUPAC name

2-[5-(3-acetamido-4-methoxyphenyl)-2H-1234-tetrazol-2-yl]acetic acid

SMILES

CC(Nc(cc(cc1)-c2nn(CC(O)=O)nn2)c1OC)=O

InChI

InChI=1S/C12H13N5O4/c1-7(18)13-9-5-8(3-4-10(9)21-2)12-14-16-17(15-12)6-11(19)20/h3-5H,6H2,1-2H3,(H,13,18)(H,19,20)

InChI Key

IKMBLSSUWWBYKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037903

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.27

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.110

Distribution Coefficient, logD

-4.732

Water Solubility, LogSw

-1.87

Polar Surface Area

97.192

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

8019-4771 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8019-4771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4771?
Check Price and Availability of 8019-4771, 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 8019-4771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4771
  • 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 8019-4771 available by request