V008-3827 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol

V008-3827 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol
V008-3827 Screening compound: 1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-2-methylpyrimidin-4-yl}piperazin-1-yl)-3-phenylpropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-3827
1-(4-{5-[(4-chlorophenyl)methyl]-6-ethyl-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

V008-3827

Molecular Formula

C27H33ClN4O (C27 H33 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1nc(C)nc(N2CCN(CC(Cc3ccccc3)O)CC2)c1Cc(cc1)ccc1Cl

InChI

InChI=1S/C27H33ClN4O/c1-3-26-25(18-22-9-11-23(28)12-10-22)27(30-20(2)29-26)32-15-13-31(14-16-32)19-24(33)17-21-7-5-4-6-8-21/h4-12,24,33H,3,13-19H2,1-2H3/t24-/m0/s1

InChI Key

KDNDUTIFSODCDJ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19885274

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.04

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

5.615

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.78

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

V008-3827 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V008-3827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-3827?
Check Price and Availability of V008-3827, 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 V008-3827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-3827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-3827
  • 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 V008-3827 available by request