V018-6569 Screening compound: N~1~,N~1~-dimethyl-4-(2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide

V018-6569 Screening compound: N~1~,N~1~-dimethyl-4-(2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide
V018-6569 Screening compound: N~1~,N~1~-dimethyl-4-(2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-6569
N~1~,N~1~-dimethyl-4-(2-phenethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)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

V018-6569

Molecular Formula

C25H31N5OS (C25 H31 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C(N(CC1)CCN1c1c(c(CCCC2)c2s2)c2nc(CCc2ccccc2)n1)=O

InChI

InChI=1S/C25H31N5OS/c1-28(2)25(31)30-16-14-29(15-17-30)23-22-19-10-6-7-11-20(19)32-24(22)27-21(26-23)13-12-18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-17H2,1-2H3

InChI Key

VEOFXRRJTDJAGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19844963

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

449.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.674

Distribution Coefficient, logD

5.283

Water Solubility, LogSw

-5.61

Polar Surface Area

41.554

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

V018-6569 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-6569 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V018-6569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-6569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-6569
  • 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 V018-6569 available by request