G745-0230 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(3-methylphenyl)acetamide

G745-0230 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(3-methylphenyl)acetamide
G745-0230 Screening compound: N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-0230
N-{[1-(4-methoxyphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-2-(3-methylphenyl)acetamide

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

G745-0230

Molecular Formula

C18H19N5O2 (C18 H19 N5 O2)

Compound Name

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

IUPAC name

N-{[1-(4-methoxyphenyl)-1H-1234-tetrazol-5-yl]methyl}-2-(3-methylphenyl)acetamide

SMILES

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

InChI

InChI=1S/C18H19N5O2/c1-13-4-3-5-14(10-13)11-18(24)19-12-17-20-21-22-23(17)15-6-8-16(25-2)9-7-15/h3-10H,11-12H2,1-2H3,(H,19,24)

InChI Key

DKKXESVXOOYXPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08320034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.38

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

2.539

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.74

Polar Surface Area

72.298

Acid Dissociation Constant (pKa)

13.56

Base Dissociation Constant (pKb)

-2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G745-0230 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 G745-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-0230?
Check Price and Availability of G745-0230, 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 G745-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-0230
  • 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 G745-0230 available by request