V010-0723 Screening compound: N~1~-benzyl-4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]tetrahydro-1(2H)-pyrazinecarboxamide

V010-0723 Screening compound: N~1~-benzyl-4-[2-(sec-butyl)-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl]tetrahydro-1(2H)-pyrazinecarboxamide
V010-0723 Screening compound: N~1~-benzyl-4-[2-(sec-butyl)-7-methyl-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 V010-0723
N~1~-benzyl-4-[2-(sec-butyl)-7-methyl-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

V010-0723

Molecular Formula

C27H35N5OS (C27 H35 N5 OS)

Compound Name

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

IUPAC name

N-benzyl-4-[5-(butan-2-yl)-11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl]piperazine-1-carboxamide

SMILES

CCC(C)c1nc(N(CC2)CCN2C(NCc2ccccc2)=O)c(c(CCC(C)C2)c2s2)c2n1

InChI

InChI=1S/C27H35N5OS/c1-4-19(3)24-29-25(23-21-11-10-18(2)16-22(21)34-26(23)30-24)31-12-14-32(15-13-31)27(33)28-17-20-8-6-5-7-9-20/h5-9,18-19H,4,10-17H2,1-3H3,(H,28,33)

InChI Key

FMHZWAOOEXCATL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19978703

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.67

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.380

Distribution Coefficient, logD

5.962

Water Solubility, LogSw

-5.76

Polar Surface Area

49.819

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

7.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

51.90

V010-0723 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V010-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0723?
Check Price and Availability of V010-0723, 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 V010-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0723
  • 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 V010-0723 available by request