V027-7905 Screening compound: 4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine

V027-7905 Screening compound: 4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine
V027-7905 Screening compound: 4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7905
4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)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

V027-7905

Molecular Formula

C23H22ClN5O4 (C23 H22 ClN5 O4)

Compound Name

4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine

IUPAC name

4-(2-chloro-5-methylphenoxy)-6-[3-methyl-4-(4-nitrobenzoyl)piperazin-1-yl]pyrimidine

SMILES

CC(CN(CC1)c2cc(Oc(cc(C)cc3)c3Cl)ncn2)N1C(c(cc1)ccc1[N+]([O-])=O)=O

InChI

InChI=1S/C23H22ClN5O4/c1-15-3-8-19(24)20(11-15)33-22-12-21(25-14-26-22)27-9-10-28(16(2)13-27)23(30)17-4-6-18(7-5-17)29(31)32/h3-8,11-12,14,16H,9-10,13H2,1-2H3/t16-/m0/s1

InChI Key

SBUIUBUDZAPZIY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19861208

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

467.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.610

Distribution Coefficient, logD

4.610

Water Solubility, LogSw

-4.85

Polar Surface Area

78.755

Acid Dissociation Constant (pKa)

23.20

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

V027-7905 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 V027-7905 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7905?
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What is the minimum amount of V027-7905 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7905
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7905
  • 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 V027-7905 available by request