V005-2700 Screening compound: 4-[5-(2-chloro-6-fluorobenzyl)-2-isobutyl-6-methyl-4-pyrimidinyl]tetrahydro-1-pyrazinyl methyl sulfone

V005-2700 Screening compound: 4-[5-(2-chloro-6-fluorobenzyl)-2-isobutyl-6-methyl-4-pyrimidinyl]tetrahydro-1-pyrazinyl methyl sulfone
V005-2700 Screening compound: 4-[5-(2-chloro-6-fluorobenzyl)-2-isobutyl-6-methyl-4-pyrimidinyl]tetrahydro-1-pyrazinyl methyl sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-2700
4-[5-(2-chloro-6-fluorobenzyl)-2-isobutyl-6-methyl-4-pyrimidinyl]tetrahydro-1-pyrazinyl methyl sulfone

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

V005-2700

Molecular Formula

C21H28ClFN4O2S (C21 H28 ClFN4 O2 S)

Compound Name

4-[5-(2-chloro-6-fluorobenzyl)-2-isobutyl-6-methyl-4-pyrimidinyl]tetrahydro-1-pyrazinyl methyl sulfone

IUPAC name

5-[(2-chloro-6-fluorophenyl)methyl]-4-(4-methanesulfonylpiperazin-1-yl)-6-methyl-2-(2-methylpropyl)pyrimidine

SMILES

CC(C)Cc1nc(N(CC2)CCN2S(C)(=O)=O)c(Cc(c(F)ccc2)c2Cl)c(C)n1

InChI

InChI=1S/C21H28ClFN4O2S/c1-14(2)12-20-24-15(3)16(13-17-18(22)6-5-7-19(17)23)21(25-20)26-8-10-27(11-9-26)30(4,28)29/h5-7,14H,8-13H2,1-4H3

InChI Key

MWQVVHRLTUUKHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19792993

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

455

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.728

Water Solubility, LogSw

-4.88

Polar Surface Area

54.774

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

References: we are preparing a list of scientific research reports with V005-2700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-2700?
Check Price and Availability of V005-2700, 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 V005-2700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-2700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-2700
  • 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 V005-2700 available by request