D175-0027 Screening compound: ({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

D175-0027 Screening compound: ({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine
D175-0027 Screening compound: ({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D175-0027
({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}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

D175-0027

Molecular Formula

C18H19ClFN5OS (C18 H19 ClFN5 OS)

Compound Name

({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl})amine

IUPAC name

({5-chloro-2-[(4-fluorophenyl)methoxy]phenyl}methyl)({2-[(1-methyl-1H-1234-tetrazol-5-yl)sulfanyl]ethyl})amine

SMILES

Cn1nnnc1SCCNCc(cc(cc1)Cl)c1OCc(cc1)ccc1F

InChI

InChI=1S/C18H19ClFN5OS/c1-25-18(22-23-24-25)27-9-8-21-11-14-10-15(19)4-7-17(14)26-12-13-2-5-16(20)6-3-13/h2-7,10,21H,8-9,11-12H2,1H3

InChI Key

BWCHNKQUQJKCPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06783425

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.227

Distribution Coefficient, logD

0.667

Water Solubility, LogSw

-3.62

Polar Surface Area

59.503

Acid Dissociation Constant (pKa)

25.04

Base Dissociation Constant (pKb)

9.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D175-0027 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D175-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D175-0027?
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What is the minimum amount of D175-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D175-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D175-0027
  • 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 D175-0027 available by request