V016-8200 Screening compound: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine

V016-8200 Screening compound: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine
V016-8200 Screening compound: 5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8200
5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine

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

V016-8200

Molecular Formula

C33H29FN4O (C33 H29 FN4 O)

Compound Name

5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine

IUPAC name

5-benzyl-2-(3-fluorophenyl)-4-methyl-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyrimidine

SMILES

Cc1nc(-c2cccc(F)c2)nc(N(CC2)CCN2C(c2cc3ccccc3cc2)=O)c1Cc1ccccc1

InChI

InChI=1S/C33H29FN4O/c1-23-30(20-24-8-3-2-4-9-24)32(36-31(35-23)27-12-7-13-29(34)22-27)37-16-18-38(19-17-37)33(39)28-15-14-25-10-5-6-11-26(25)21-28/h2-15,21-22H,16-20H2,1H3

InChI Key

YRBROATYAXVPHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19851612

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

516.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.606

Distribution Coefficient, logD

7.554

Water Solubility, LogSw

-6.58

Polar Surface Area

38.413

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

V016-8200 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V016-8200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8200?
Check Price and Availability of V016-8200, 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 V016-8200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8200
  • 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 V016-8200 available by request