V001-2839 Screening compound: [4-(2-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-thienyl)methanone

V001-2839 Screening compound: [4-(2-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-thienyl)methanone
V001-2839 Screening compound: [4-(2-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2839
[4-(2-cyclopropyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)piperazino](2-thienyl)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

V001-2839

Molecular Formula

C22H24N4OS2 (C22 H24 N4 OS2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)N(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(C2CC2)n1

InChI

InChI=1S/C22H24N4OS2/c27-22(17-6-3-13-28-17)26-11-9-25(10-12-26)20-18-15-4-1-2-5-16(15)29-21(18)24-19(23-20)14-7-8-14/h3,6,13-14H,1-2,4-5,7-12H2

InChI Key

HRJNCOCHZUQLCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03278709

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

424.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.460

Distribution Coefficient, logD

3.736

Water Solubility, LogSw

-5.73

Polar Surface Area

40.947

Acid Dissociation Constant (pKa)

22.54

Base Dissociation Constant (pKb)

9.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V001-2839 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2839?
Check Price and Availability of V001-2839, 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 V001-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2839
  • 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 V001-2839 available by request