V012-2146 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V012-2146 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V012-2146 Screening compound: 4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-2146
4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

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

V012-2146

Molecular Formula

C29H28N6OS (C29 H28 N6 OS)

Compound Name

4-(2-benzyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)-N~1~-(4-cyanophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-{5-benzyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}-N-(4-cyanophenyl)piperazine-1-carboxamide

SMILES

N#Cc(cc1)ccc1NC(N(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(Cc2ccccc2)n1)=O

InChI

InChI=1S/C29H28N6OS/c30-19-21-10-12-22(13-11-21)31-29(36)35-16-14-34(15-17-35)27-26-23-8-4-5-9-24(23)37-28(26)33-25(32-27)18-20-6-2-1-3-7-20/h1-3,6-7,10-13H,4-5,8-9,14-18H2,(H,31,36)

InChI Key

IVKHETSCWSUYFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19845991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

508.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.075

Distribution Coefficient, logD

5.953

Water Solubility, LogSw

-6.13

Polar Surface Area

66.273

Acid Dissociation Constant (pKa)

11.79

Base Dissociation Constant (pKb)

6.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.00

V012-2146 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with V012-2146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-2146?
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What is the minimum amount of V012-2146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-2146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-2146
  • 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 V012-2146 available by request