G745-0047 Screening compound: 2-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzamide

G745-0047 Screening compound: 2-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzamide
G745-0047 Screening compound: 2-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G745-0047
2-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzamide

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

G745-0047

Molecular Formula

C17H16ClN5O (C17 H16 ClN5 O)

Compound Name

2-chloro-N-{[1-(3,4-dimethylphenyl)-1H-1,2,3,4-tetrazol-5-yl]methyl}benzamide

IUPAC name

2-chloro-N-{[1-(34-dimethylphenyl)-1H-1234-tetrazol-5-yl]methyl}benzamide

SMILES

Cc(cc1)c(C)cc1-n1nnnc1CNC(c(cccc1)c1Cl)=O

InChI

InChI=1S/C17H16ClN5O/c1-11-7-8-13(9-12(11)2)23-16(20-21-22-23)10-19-17(24)14-5-3-4-6-15(14)18/h3-9H,10H2,1-2H3,(H,19,24)

InChI Key

KUSLUAKLECXDEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08319876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.860

Distribution Coefficient, logD

3.860

Water Solubility, LogSw

-4.16

Polar Surface Area

64.968

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

G745-0047 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G745-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G745-0047?
Check Price and Availability of G745-0047, 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 G745-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G745-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G745-0047
  • 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 G745-0047 available by request