V006-4519 Screening compound: 4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N~1~-(3-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

V006-4519 Screening compound: 4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N~1~-(3-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide
V006-4519 Screening compound: 4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N~1~-(3-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-4519
4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N~1~-(3-fluorophenyl)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

V006-4519

Molecular Formula

C29H31FN6OS (C29 H31 FN6 OS)

Compound Name

4-(2-benzyl-7-ethyl-5,6,7,8-tetrahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N~1~-(3-fluorophenyl)tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-{5-benzyl-11-ethyl-8-thia-4611-triazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}-N-(3-fluorophenyl)piperazine-1-carboxamide

SMILES

CCN(CC1)Cc2c1c1c(N(CC3)CCN3C(Nc3cc(F)ccc3)=O)nc(Cc3ccccc3)nc1s2

InChI

InChI=1S/C29H31FN6OS/c1-2-34-12-11-23-24(19-34)38-28-26(23)27(32-25(33-28)17-20-7-4-3-5-8-20)35-13-15-36(16-14-35)29(37)31-22-10-6-9-21(30)18-22/h3-10,18H,2,11-17,19H2,1H3,(H,31,37)

InChI Key

FMGSSWDQCRKKRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19846650

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

530.67

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

5.806

Distribution Coefficient, logD

5.729

Water Solubility, LogSw

-5.81

Polar Surface Area

52.687

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.50

V006-4519 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V006-4519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-4519?
Check Price and Availability of V006-4519, 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 V006-4519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-4519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-4519
  • 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 V006-4519 available by request