V021-9775 Screening compound: 2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylpropanamide

V021-9775 Screening compound: 2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylpropanamide
V021-9775 Screening compound: 2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-9775
2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylpropanamide

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

V021-9775

Molecular Formula

C26H36N2O3S (C26 H36 N2 O3 S)

Compound Name

2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-propylpropanamide

IUPAC name

2-methyl-N-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]-N-propylpropanamide

SMILES

CCCN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(C(C)C)=O

InChI

InChI=1S/C26H36N2O3S/c1-6-13-27(26(30)19(4)5)16-25(29)28-14-11-24-22(12-15-32-24)23(28)17-31-21-9-7-20(8-10-21)18(2)3/h7-10,12,15,18-19,23H,6,11,13-14,16-17H2,1-5H3/t23-/m0/s1

InChI Key

WOTOKOHGJYTJJQ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19865467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.46

Polar Surface Area

40.536

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

V021-9775 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-9775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-9775?
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What is the minimum amount of V021-9775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-9775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-9775
  • 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 V021-9775 available by request