8016-2057 Screening compound: 3-(4-chlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid

8016-2057 Screening compound: 3-(4-chlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid
8016-2057 Screening compound: 3-(4-chlorophenyl)-3-(1H-1,2,3,4-tetraazol-1-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2057
3-(4-chlorophenyl)-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

8016-2057

Molecular Formula

C10H9ClN4O2 (C10 H9 ClN4 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(CC(c(cc1)ccc1Cl)n1nnnc1)=O

InChI

InChI=1S/C10H9ClN4O2/c11-8-3-1-7(2-4-8)9(5-10(16)17)15-6-12-13-14-15/h1-4,6,9H,5H2,(H,16,17)/t9-/m0/s1

InChI Key

TZRNJRMDQZMRHB-VIFPVBQESA-N

MDL Number (MFCD)

MFCD05664580

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

252.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.129

Distribution Coefficient, logD

-1.659

Water Solubility, LogSw

-2.49

Polar Surface Area

67.924

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8016-2057 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-2057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2057?
Check Price and Availability of 8016-2057, 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 8016-2057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2057
  • 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 8016-2057 available by request