V021-6053 Screening compound: 2-{[(2-hydroxybutyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V021-6053 Screening compound: 2-{[(2-hydroxybutyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V021-6053 Screening compound: 2-{[(2-hydroxybutyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6053
2-{[(2-hydroxybutyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

V021-6053

Molecular Formula

C18H27N3O2S (C18 H27 N3 O2 S)

Compound Name

2-{[(2-hydroxybutyl)(propyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

5-{[(2-hydroxybutyl)(propyl)amino]methyl}-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CCCN(CC(CC)O)CC(N1)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C18H27N3O2S/c1-3-9-21(10-12(22)4-2)11-15-19-17(23)16-13-7-5-6-8-14(13)24-18(16)20-15/h12,22H,3-11H2,1-2H3,(H,19,20,23)/t12-/m0/s1

InChI Key

ZMVBIROIVJGBQG-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD19871123

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

349.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.819

Distribution Coefficient, logD

2.816

Water Solubility, LogSw

-3.12

Polar Surface Area

55.576

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

References: we are preparing a list of scientific research reports with V021-6053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6053?
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What is the minimum amount of V021-6053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6053
  • 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 V021-6053 available by request