V021-3229 Screening compound: 5-({[2-HYDROXY-3-(PROP-2-YN-1-YLOXY)PROPYL][2-(MORPHOLIN-4-YL)ETHYL]AMINO}METHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0²,⁷]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

V021-3229 Screening compound: 5-({[2-HYDROXY-3-(PROP-2-YN-1-YLOXY)PROPYL][2-(MORPHOLIN-4-YL)ETHYL]AMINO}METHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0²,⁷]TRIDECA-1(9),2(7),5-TRIEN-3-ONE
V021-3229 Screening compound: 5-({[2-HYDROXY-3-(PROP-2-YN-1-YLOXY)PROPYL][2-(MORPHOLIN-4-YL)ETHYL]AMINO}METHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0²,⁷]TRIDECA-1(9),2(7),5-TRIEN-3-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3229
5-({[2-HYDROXY-3-(PROP-2-YN-1-YLOXY)PROPYL][2-(MORPHOLIN-4-YL)ETHYL]AMINO}METHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0²,⁷]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

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

V021-3229

Molecular Formula

C23H32N4O4S (C23 H32 N4 O4 S)

Compound Name

5-({[2-HYDROXY-3-(PROP-2-YN-1-YLOXY)PROPYL][2-(MORPHOLIN-4-YL)ETHYL]AMINO}METHYL)-8-THIA-4,6-DIAZATRICYCLO[7.4.0.0²,⁷]TRIDECA-1(9),2(7),5-TRIEN-3-ONE

IUPAC name

n/a

SMILES

C#CCOCC(CN(CCN1CCOCC1)CC(N1)=Nc(sc2c3CCCC2)c3C1=O)O

InChI

InChI=1S/C23H32N4O4S/c1-2-11-31-16-17(28)14-27(8-7-26-9-12-30-13-10-26)15-20-24-22(29)21-18-5-3-4-6-19(18)32-23(21)25-20/h1,17,28H,3-16H2,(H,24,25,29)/t17-/m0/s1

InChI Key

USUXQCHVMXSTQL-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19870708

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

460.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-2.10

Polar Surface Area

75.548

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

V021-3229 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V021-3229 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3229?
Check Price and Availability of V021-3229, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V021-3229 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3229
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3229
  • 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 V021-3229 available by request