D175-0017 Screening compound: 2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

D175-0017 Screening compound: 2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide
D175-0017 Screening compound: 2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0017
2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}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

D175-0017

Molecular Formula

C14H19BrN6O3S (C14 H19 BrN6 O3 S)

Compound Name

2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

IUPAC name

2-{2-bromo-6-methoxy-4-[({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl}amino)methyl]phenoxy}acetamide

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(Br)c1OCC(N)=O

InChI

InChI=1S/C14H19BrN6O3S/c1-21-14(18-19-20-21)25-4-3-17-7-9-5-10(15)13(11(6-9)23-2)24-8-12(16)22/h5-6,17H,3-4,7-8H2,1-2H3,(H2,16,22)

InChI Key

NYAFFOKTQAFVKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07406858

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

431.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.191

Distribution Coefficient, logD

-4.105

Water Solubility, LogSw

-1.82

Polar Surface Area

100.880

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with D175-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0017?
Check Price and Availability of D175-0017, 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 D175-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0017
  • 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 D175-0017 available by request