V004-9832 Screening compound: 4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine

V004-9832 Screening compound: 4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine
V004-9832 Screening compound: 4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-nitrophenyl)methyl]-2-phenylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9832
4-[4-(ethanesulfonyl)piperazin-1-yl]-6-methyl-5-[(2-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

V004-9832

Molecular Formula

C24H27N5O4S (C24 H27 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(N(CC1)CCN1c1nc(-c2ccccc2)nc(C)c1Cc(cccc1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C24H27N5O4S/c1-3-34(32,33)28-15-13-27(14-16-28)24-21(17-20-11-7-8-12-22(20)29(30)31)18(2)25-23(26-24)19-9-5-4-6-10-19/h4-12H,3,13-17H2,1-2H3

InChI Key

YCQAJMVYPSGPPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786496

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

481.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.148

Distribution Coefficient, logD

5.073

Water Solubility, LogSw

-5.18

Polar Surface Area

86.994

Acid Dissociation Constant (pKa)

20.11

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

V004-9832 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V004-9832 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9832?
Check Price and Availability of V004-9832, 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 V004-9832 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9832
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9832
  • 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 V004-9832 available by request