V027-7745 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidine

V027-7745 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidine
V027-7745 Screening compound: 4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7745
4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]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

V027-7745

Molecular Formula

C28H32ClN5O3 (C28 H32 ClN5 O3)

Compound Name

4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidine

IUPAC name

4-[4-(2-chlorobenzoyl)piperazin-1-yl]-6-ethyl-2-(2-methylpropyl)-5-[(4-nitrophenyl)methyl]pyrimidine

SMILES

CCc1c(Cc(cc2)ccc2[N+]([O-])=O)c(N(CC2)CCN2C(c(cccc2)c2Cl)=O)nc(CC(C)C)n1

InChI

InChI=1S/C28H32ClN5O3/c1-4-25-23(18-20-9-11-21(12-10-20)34(36)37)27(31-26(30-25)17-19(2)3)32-13-15-33(16-14-32)28(35)22-7-5-6-8-24(22)29/h5-12,19H,4,13-18H2,1-3H3

InChI Key

WAUQVDPSLMRSDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19783494

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.426

Distribution Coefficient, logD

6.220

Water Solubility, LogSw

-6.08

Polar Surface Area

74.017

Acid Dissociation Constant (pKa)

21.42

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.30

References: we are preparing a list of scientific research reports with V027-7745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7745?
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What is the minimum amount of V027-7745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7745
  • 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 V027-7745 available by request