G745-0330 Screening compound: 2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-6-fluorobenzamide

G745-0330 Screening compound: 2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-6-fluorobenzamide
G745-0330 Screening compound: 2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-6-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-0330
2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-6-fluorobenzamide

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

G745-0330

Molecular Formula

C17H15ClFN5O2 (C17 H15 ClFN5 O2)

Compound Name

2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-6-fluorobenzamide

IUPAC name

2-chloro-N-{[1-(4-ethoxyphenyl)-1H-1234-tetrazol-5-yl]methyl}-6-fluorobenzamide

SMILES

CCOc(cc1)ccc1-n1nnnc1CNC(c(c(F)ccc1)c1Cl)=O

InChI

InChI=1S/C17H15ClFN5O2/c1-2-26-12-8-6-11(7-9-12)24-15(21-22-23-24)10-20-17(25)16-13(18)4-3-5-14(16)19/h3-9H,2,10H2,1H3,(H,20,25)

InChI Key

ZGIWQMYREKHYRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08320131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.79

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.805

Distribution Coefficient, logD

2.805

Water Solubility, LogSw

-3.81

Polar Surface Area

72.092

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G745-0330 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 G745-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-0330?
Check Price and Availability of G745-0330, 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 G745-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-0330
  • 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 G745-0330 available by request