V010-8596 Screening compound: 4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine

V010-8596 Screening compound: 4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine
V010-8596 Screening compound: 4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-8596
4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine

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

V010-8596

Molecular Formula

C29H26BrN5O3 (C29 H26 BrN5 O3)

Compound Name

4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine

IUPAC name

4-[4-(4-bromobenzoyl)piperazin-1-yl]-6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidine

SMILES

Cc1c(Cc(cc2)ccc2[N+]([O-])=O)c(N(CC2)CCN2C(c(cc2)ccc2Br)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C29H26BrN5O3/c1-20-26(19-21-7-13-25(14-8-21)35(37)38)28(32-27(31-20)22-5-3-2-4-6-22)33-15-17-34(18-16-33)29(36)23-9-11-24(30)12-10-23/h2-14H,15-19H2,1H3

InChI Key

LTOXXRJKCVOXBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850555

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

572.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.981

Distribution Coefficient, logD

6.906

Water Solubility, LogSw

-5.88

Polar Surface Area

72.067

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

V010-8596 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V010-8596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-8596?
Check Price and Availability of V010-8596, 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 V010-8596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-8596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-8596
  • 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 V010-8596 available by request