V006-8020 Screening compound: 6-(1,1-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile

V006-8020 Screening compound: 6-(1,1-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile
V006-8020 Screening compound: 6-(1,1-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-8020
6-(1,1-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile

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

V006-8020

Molecular Formula

C22H23N3O2S2 (C22 H23 N3 O2 S2)

Compound Name

6-(1,1-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile

IUPAC name

6-(11-dimethoxyethyl)-2-[({2-[(4-methylphenyl)methyl]-13-thiazol-4-yl}methyl)sulfanyl]pyridine-3-carbonitrile

SMILES

CC(c(nc1SCc2csc(Cc3ccc(C)cc3)n2)ccc1C#N)(OC)OC

InChI

InChI=1S/C22H23N3O2S2/c1-15-5-7-16(8-6-15)11-20-24-18(13-28-20)14-29-21-17(12-23)9-10-19(25-21)22(2,26-3)27-4/h5-10,13H,11,14H2,1-4H3

InChI Key

QEVBEALTQNGUFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19945107

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

425.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.585

Distribution Coefficient, logD

5.585

Water Solubility, LogSw

-5.58

Polar Surface Area

51.057

Acid Dissociation Constant (pKa)

28.76

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V006-8020 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V006-8020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-8020?
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What is the minimum amount of V006-8020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-8020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-8020
  • 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 V006-8020 available by request