8601-0151 Screening compound: N-(4-{[1-(4-bromophenyl)-1H-1,2,3,4-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide

8601-0151 Screening compound: N-(4-{[1-(4-bromophenyl)-1H-1,2,3,4-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide
8601-0151 Screening compound: N-(4-{[1-(4-bromophenyl)-1H-1,2,3,4-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8601-0151
N-(4-{[1-(4-bromophenyl)-1H-1,2,3,4-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide

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

8601-0151

Molecular Formula

C17H16BrN5O2 (C17 H16 BrN5 O2)

Compound Name

N-(4-{[1-(4-bromophenyl)-1H-1,2,3,4-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide

IUPAC name

N-(4-{[1-(4-bromophenyl)-1H-1234-tetrazol-5-yl]methoxy}phenyl)-N-methylacetamide

SMILES

CC(N(C)c(cc1)ccc1OCc1nnnn1-c(cc1)ccc1Br)=O

InChI

InChI=1S/C17H16BrN5O2/c1-12(24)22(2)14-7-9-16(10-8-14)25-11-17-19-20-21-23(17)15-5-3-13(18)4-6-15/h3-10H,11H2,1-2H3

InChI Key

KTLIPJUUIGLCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08291879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

2.159

Water Solubility, LogSw

-2.41

Polar Surface Area

63.891

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

8601-0151 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8601-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8601-0151?
Check Price and Availability of 8601-0151, 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 8601-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8601-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8601-0151
  • 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 8601-0151 available by request