V020-4717 Screening compound: cyclopropyl{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}methanone

V020-4717 Screening compound: cyclopropyl{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}methanone
V020-4717 Screening compound: cyclopropyl{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-4717
cyclopropyl{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}methanone

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

V020-4717

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

cyclopropyl{4-[2-(methoxymethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]piperazino}methanone

IUPAC name

3-(4-cyclopropanecarbonylpiperazin-1-yl)-5-(methoxymethyl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene

SMILES

COCc1nc(N(CC2)CCN2C(C2CC2)=O)c(c(CCCC2)c2s2)c2n1

InChI

InChI=1S/C20H26N4O2S/c1-26-12-16-21-18(17-14-4-2-3-5-15(14)27-19(17)22-16)23-8-10-24(11-9-23)20(25)13-6-7-13/h13H,2-12H2,1H3

InChI Key

HCLJSBCWWNTUGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844846

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.639

Distribution Coefficient, logD

3.430

Water Solubility, LogSw

-4.05

Polar Surface Area

49.614

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

V020-4717 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 V020-4717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-4717?
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What is the minimum amount of V020-4717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-4717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-4717
  • 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 V020-4717 available by request