D175-0047 Screening compound: [(3-bromo-4,5-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0047 Screening compound: [(3-bromo-4,5-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0047 Screening compound: [(3-bromo-4,5-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0047
[(3-bromo-4,5-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

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

D175-0047

Molecular Formula

C13H18BrN5O2S (C13 H18 BrN5 O2 S)

Compound Name

[(3-bromo-4,5-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

[(3-bromo-45-dimethoxyphenyl)methyl]({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc1OC)cc(Br)c1OC

InChI

InChI=1S/C13H18BrN5O2S/c1-19-13(16-17-18-19)22-5-4-15-8-9-6-10(14)12(21-3)11(7-9)20-2/h6-7,15H,4-5,8H2,1-3H3

InChI Key

XLDWDBZREUDBDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06773701

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

388.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

-2.696

Water Solubility, LogSw

-2.15

Polar Surface Area

67.537

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

11.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

D175-0047 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D175-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0047?
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What is the minimum amount of D175-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0047
  • 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 D175-0047 available by request