V030-9129 Screening compound: 4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

V030-9129 Screening compound: 4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole
V030-9129 Screening compound: 4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-9129
4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

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

V030-9129

Molecular Formula

C19H18FNO2S2 (C19 H18 FNO2 S2)

Compound Name

4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-1,3-thiazole

IUPAC name

4-({[(4-fluorophenyl)methyl]sulfanyl}methyl)-2-[(4-methoxyphenoxy)methyl]-13-thiazole

SMILES

COc(cc1)ccc1OCc1nc(CSCc(cc2)ccc2F)cs1

InChI

InChI=1S/C19H18FNO2S2/c1-22-17-6-8-18(9-7-17)23-10-19-21-16(13-25-19)12-24-11-14-2-4-15(20)5-3-14/h2-9,13H,10-12H2,1H3

InChI Key

DCWFHPAQIHEIEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19980074

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.226

Distribution Coefficient, logD

5.226

Water Solubility, LogSw

-5.22

Polar Surface Area

25.734

Acid Dissociation Constant (pKa)

27.50

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V030-9129 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V030-9129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-9129?
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What is the minimum amount of V030-9129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-9129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-9129
  • 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 V030-9129 available by request