V022-3108 Screening compound: 2-{[(3-ethoxy-2-hydroxypropyl)(isopropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

V022-3108 Screening compound: 2-{[(3-ethoxy-2-hydroxypropyl)(isopropyl)amino]methyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
V022-3108 Screening compound: 2-{[(3-ethoxy-2-hydroxypropyl)(isopropyl)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 V022-3108
2-{[(3-ethoxy-2-hydroxypropyl)(isopropyl)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

V022-3108

Molecular Formula

C19H29N3O3S (C19 H29 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-4-25-11-13(23)9-22(12(2)3)10-16-20-18(24)17-14-7-5-6-8-15(14)26-19(17)21-16/h12-13,23H,4-11H2,1-3H3,(H,20,21,24)/t13-/m0/s1

InChI Key

VDCKWDKYOSMULN-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.372

Distribution Coefficient, logD

2.369

Water Solubility, LogSw

-2.75

Polar Surface Area

63.292

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.42

References: we are preparing a list of scientific research reports with V022-3108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3108?
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What is the minimum amount of V022-3108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3108
  • 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 V022-3108 available by request