V006-9151 Screening compound: 1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol

V006-9151 Screening compound: 1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol
V006-9151 Screening compound: 1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-9151
1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol

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

V006-9151

Molecular Formula

C27H33FN4O (C27 H33 FN4 O)

Compound Name

1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol

IUPAC name

1-(4-{6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol

SMILES

CCc1nc(C)nc(N2CCN(CC(Cc3ccccc3)O)CC2)c1Cc1cccc(F)c1

InChI

InChI=1S/C27H33FN4O/c1-3-26-25(18-22-10-7-11-23(28)16-22)27(30-20(2)29-26)32-14-12-31(13-15-32)19-24(33)17-21-8-5-4-6-9-21/h4-11,16,24,33H,3,12-15,17-19H2,1-2H3/t24-/m0/s1

InChI Key

KFIGIPRTKUBFEX-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19885264

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.188

Distribution Coefficient, logD

4.919

Water Solubility, LogSw

-5.15

Polar Surface Area

42.962

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V006-9151 in Drug Discovery

Included in Screening Libraries

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 V006-9151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-9151?
Check Price and Availability of V006-9151, 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 V006-9151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-9151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-9151
  • 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 V006-9151 available by request