V028-1467 Screening compound: 1-{4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepan-1-yl}-1-pentanone

V028-1467 Screening compound: 1-{4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepan-1-yl}-1-pentanone
V028-1467 Screening compound: 1-{4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepan-1-yl}-1-pentanone alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1467
1-{4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepan-1-yl}-1-pentanone

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

V028-1467

Molecular Formula

C20H24ClFN4O2 (C20 H24 ClFN4 O2)

Compound Name

1-{4-[6-(3-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1,4-diazepan-1-yl}-1-pentanone

IUPAC name

n/a

SMILES

CCCCC(N(CCC1)CCN1c1cc(Oc(cc2)cc(Cl)c2F)ncn1)=O

InChI

InChI=1S/C20H24ClFN4O2/c1-2-3-5-20(27)26-9-4-8-25(10-11-26)18-13-19(24-14-23-18)28-15-6-7-17(22)16(21)12-15/h6-7,12-14H,2-5,8-11H2,1H3

InChI Key

JXVPWWNJWXKOPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19861935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.181

Distribution Coefficient, logD

4.181

Water Solubility, LogSw

-4.52

Polar Surface Area

46.144

Acid Dissociation Constant (pKa)

23.44

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

References: we are preparing a list of scientific research reports with V028-1467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1467?
Check Price and Availability of V028-1467, 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 V028-1467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1467
  • 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 V028-1467 available by request