V007-3839 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]-2-phenoxy-1-ethanone

V007-3839 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]-2-phenoxy-1-ethanone
V007-3839 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]-2-phenoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V007-3839
1-[4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)piperazino]-2-phenoxy-1-ethanone

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

V007-3839

Molecular Formula

C30H33N5O2S (C30 H33 N5 O2 S)

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]-2-phenoxy-1-ethanone

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)-2-phenoxyethan-1-one

SMILES

CCN(CC1)Cc2c1c1c(N(CC3)CCN3C(COc3ccccc3)=O)nc(Cc3ccccc3)nc1s2

InChI

InChI=1S/C30H33N5O2S/c1-2-33-14-13-24-25(20-33)38-30-28(24)29(31-26(32-30)19-22-9-5-3-6-10-22)35-17-15-34(16-18-35)27(36)21-37-23-11-7-4-8-12-23/h3-12H,2,13-21H2,1H3

InChI Key

HOATYYOELQHHAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846610

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.045

Distribution Coefficient, logD

4.968

Water Solubility, LogSw

-4.79

Polar Surface Area

50.837

Acid Dissociation Constant (pKa)

22.62

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

V007-3839 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V007-3839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V007-3839?
Check Price and Availability of V007-3839, 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 V007-3839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V007-3839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V007-3839
  • 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 V007-3839 available by request