V021-3230 Screening compound: 2-{[allyl(2-hydroxy-3-isopropoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

V021-3230 Screening compound: 2-{[allyl(2-hydroxy-3-isopropoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
V021-3230 Screening compound: 2-{[allyl(2-hydroxy-3-isopropoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-3230
2-{[allyl(2-hydroxy-3-isopropoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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

V021-3230

Molecular Formula

C19H27N3O3S (C19 H27 N3 O3 S)

Compound Name

2-{[allyl(2-hydroxy-3-isopropoxypropyl)amino]methyl}-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-({[2-hydroxy-3-(propan-2-yloxy)propyl](prop-2-en-1-yl)amino}methyl)-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

CC(C)OCC(CN(CC=C)CC(N1)=Nc(sc2c3CCC2)c3C1=O)O

InChI

InChI=1S/C19H27N3O3S/c1-4-8-22(9-13(23)11-25-12(2)3)10-16-20-18(24)17-14-6-5-7-15(14)26-19(17)21-16/h4,12-13,23H,1,5-11H2,2-3H3,(H,20,21,24)/t13-/m0/s1

InChI Key

WRQGZTMXOITHFL-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19871197

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

377.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.267

Distribution Coefficient, logD

2.267

Water Solubility, LogSw

-2.62

Polar Surface Area

63.224

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.90

V021-3230 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V021-3230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-3230?
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What is the minimum amount of V021-3230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-3230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-3230
  • 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 V021-3230 available by request