V009-0002 Screening compound: 1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone

V009-0002 Screening compound: 1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone
V009-0002 Screening compound: 1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-0002
1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone

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

V009-0002

Molecular Formula

C28H37N5OS (C28 H37 N5 OS)

Compound Name

1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-3,3-dimethyl-1-butanone

IUPAC name

1-(4-{5-benzyl-11-ethyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}piperazin-1-yl)-33-dimethylbutan-1-one

SMILES

CCN(CC1)Cc2c1c1c(N(CC3)CCN3C(CC(C)(C)C)=O)nc(Cc3ccccc3)nc1s2

InChI

InChI=1S/C28H37N5OS/c1-5-31-12-11-21-22(19-31)35-27-25(21)26(29-23(30-27)17-20-9-7-6-8-10-20)33-15-13-32(14-16-33)24(34)18-28(2,3)4/h6-10H,5,11-19H2,1-4H3

InChI Key

ZOAQWGFQKHWNFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846608

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.692

Water Solubility, LogSw

-5.71

Polar Surface Area

43.610

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.60

V009-0002 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V009-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-0002?
Check Price and Availability of V009-0002, 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 V009-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-0002
  • 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 V009-0002 available by request