V001-6719 Screening compound: 1-{4-[6-ethyl-5-(2-fluorobenzyl)-2-methyl-4-pyrimidinyl]piperazino}-2-pentanol

V001-6719 Screening compound: 1-{4-[6-ethyl-5-(2-fluorobenzyl)-2-methyl-4-pyrimidinyl]piperazino}-2-pentanol
V001-6719 Screening compound: 1-{4-[6-ethyl-5-(2-fluorobenzyl)-2-methyl-4-pyrimidinyl]piperazino}-2-pentanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-6719
1-{4-[6-ethyl-5-(2-fluorobenzyl)-2-methyl-4-pyrimidinyl]piperazino}-2-pentanol

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

V001-6719

Molecular Formula

C23H33FN4O (C23 H33 FN4 O)

Compound Name

1-{4-[6-ethyl-5-(2-fluorobenzyl)-2-methyl-4-pyrimidinyl]piperazino}-2-pentanol

IUPAC name

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

SMILES

CCCC(CN(CC1)CCN1c1c(Cc(cccc2)c2F)c(CC)nc(C)n1)O

InChI

InChI=1S/C23H33FN4O/c1-4-8-19(29)16-27-11-13-28(14-12-27)23-20(22(5-2)25-17(3)26-23)15-18-9-6-7-10-21(18)24/h6-7,9-10,19,29H,4-5,8,11-16H2,1-3H3/t19-/m0/s1

InChI Key

IBBWTZACTQOCOW-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19885307

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

400.54

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

4.518

Distribution Coefficient, logD

4.253

Water Solubility, LogSw

-4.21

Polar Surface Area

43.234

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

7.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.52

V001-6719 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-6719 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-6719?
Check Price and Availability of V001-6719, 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 V001-6719 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-6719
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-6719
  • 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 V001-6719 available by request