6406-0178 Screening compound: 3-phenyl-4-[(1H-1,2,3,4-tetrazol-5-yl)carbamoyl]butanoic acid

6406-0178 Screening compound: 3-phenyl-4-[(1H-1,2,3,4-tetrazol-5-yl)carbamoyl]butanoic acid
6406-0178 Screening compound: 3-phenyl-4-[(1H-1,2,3,4-tetrazol-5-yl)carbamoyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6406-0178
3-phenyl-4-[(1H-1,2,3,4-tetrazol-5-yl)carbamoyl]butanoic 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

6406-0178

Molecular Formula

C12H13N5O3 (C12 H13 N5 O3)

Compound Name

3-phenyl-4-[(1H-1,2,3,4-tetrazol-5-yl)carbamoyl]butanoic acid

IUPAC name

3-phenyl-4-[(1H-1234-tetrazol-5-yl)carbamoyl]butanoic acid

SMILES

OC(CC(CC(Nc1nnn[nH]1)=O)c1ccccc1)=O

InChI

InChI=1S/C12H13N5O3/c18-10(13-12-14-16-17-15-12)6-9(7-11(19)20)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,19,20)(H2,13,14,15,16,17,18)/t9-/m0/s1

InChI Key

UGHHCYZCMXVDJW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02853254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.439

Distribution Coefficient, logD

-3.568

Water Solubility, LogSw

-1.69

Polar Surface Area

103.019

Acid Dissociation Constant (pKa)

4.27

Base Dissociation Constant (pKb)

-2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6406-0178 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6406-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6406-0178?
Check Price and Availability of 6406-0178, 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 6406-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6406-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6406-0178
  • 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 6406-0178 available by request