V022-9589 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide

V022-9589 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide
V022-9589 Screening compound: N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9589
N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide

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

V022-9589

Molecular Formula

C27H36N2O4S (C27 H36 N2 O4 S)

Compound Name

N-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide

IUPAC name

N-(2-{4-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-2-methyl-N-[(oxolan-2-yl)methyl]propanamide

SMILES

CC(C)C(N(CC1OCCC1)CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)=O

InChI

InChI=1S/C27H36N2O4S/c1-18(2)27(31)28(15-21-6-5-12-32-21)16-26(30)29-11-9-25-22(10-13-34-25)23(29)17-33-24-8-7-19(3)14-20(24)4/h7-8,10,13-14,18,21,23H,5-6,9,11-12,15-17H2,1-4H3

InChI Key

SGWQSDLCRCSTMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19866045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.935

Distribution Coefficient, logD

4.935

Water Solubility, LogSw

-4.66

Polar Surface Area

49.027

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

V022-9589 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V022-9589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9589?
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What is the minimum amount of V022-9589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9589
  • 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 V022-9589 available by request