V021-4135 Screening compound: 1-{4-[5-(3-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}-3-methyl-2-butanol

V021-4135 Screening compound: 1-{4-[5-(3-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}-3-methyl-2-butanol
V021-4135 Screening compound: 1-{4-[5-(3-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}-3-methyl-2-butanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4135
1-{4-[5-(3-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}-3-methyl-2-butanol

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

V021-4135

Molecular Formula

C22H31FN4O (C22 H31 FN4 O)

Compound Name

1-{4-[5-(3-fluorobenzyl)-2,6-dimethyl-4-pyrimidinyl]piperazino}-3-methyl-2-butanol

IUPAC name

1-(4-{5-[(3-fluorophenyl)methyl]-26-dimethylpyrimidin-4-yl}piperazin-1-yl)-3-methylbutan-2-ol

SMILES

CC(C)C(CN(CC1)CCN1c1c(Cc2cccc(F)c2)c(C)nc(C)n1)O

InChI

InChI=1S/C22H31FN4O/c1-15(2)21(28)14-26-8-10-27(11-9-26)22-20(16(3)24-17(4)25-22)13-18-6-5-7-19(23)12-18/h5-7,12,15,21,28H,8-11,13-14H2,1-4H3/t21-/m0/s1

InChI Key

XYGMEVZGOQDLSY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19885076

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.816

Distribution Coefficient, logD

3.343

Water Solubility, LogSw

-4.08

Polar Surface Area

42.077

Acid Dissociation Constant (pKa)

17.27

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

V021-4135 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V021-4135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4135?
Check Price and Availability of V021-4135, 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 V021-4135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4135
  • 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 V021-4135 available by request