G745-1046 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-4-methoxybenzamide

G745-1046 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-4-methoxybenzamide
G745-1046 Screening compound: N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-1046
N-{[1-(3,4-difluorophenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}-4-methoxybenzamide

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

G745-1046

Molecular Formula

C16H13F2N5O2 (C16 H13 F2 N5 O2)

Compound Name

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

IUPAC name

N-{[1-(34-difluorophenyl)-1H-1234-tetrazol-5-yl]methyl}-4-methoxybenzamide

SMILES

COc(cc1)ccc1C(NCc1nnnn1-c(cc1)cc(F)c1F)=O

InChI

InChI=1S/C16H13F2N5O2/c1-25-12-5-2-10(3-6-12)16(24)19-9-15-20-21-22-23(15)11-4-7-13(17)14(18)8-11/h2-8H,9H2,1H3,(H,19,24)

InChI Key

WXFMUCQEWHPQRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08320848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.31

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

2.325

Distribution Coefficient, logD

2.325

Water Solubility, LogSw

-2.87

Polar Surface Area

72.512

Acid Dissociation Constant (pKa)

12.98

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with G745-1046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-1046?
Check Price and Availability of G745-1046, 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 G745-1046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-1046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-1046
  • 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 G745-1046 available by request