G745-0157 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-3-methylbenzamide

G745-0157 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-3-methylbenzamide
G745-0157 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-0157
N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-3-methylbenzamide

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

G745-0157

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-3-methylbenzamide

IUPAC name

N-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]methyl}-3-methylbenzamide

SMILES

Cc1cccc(C(NCc2nnnn2-c(cc2)ccc2OC)=O)c1

InChI

InChI=1S/C17H17N5O2/c1-12-4-3-5-13(10-12)17(23)18-11-16-19-20-21-22(16)14-6-8-15(24-2)9-7-14/h3-10H,11H2,1-2H3,(H,18,23)

InChI Key

SUFZZTUNZVHRIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08319974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.333

Distribution Coefficient, logD

2.333

Water Solubility, LogSw

-2.77

Polar Surface Area

72.512

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G745-0157 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 G745-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-0157?
Check Price and Availability of G745-0157, 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 G745-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-0157
  • 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 G745-0157 available by request