C284-0520 Screening compound: ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate

C284-0520 Screening compound: ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate
C284-0520 Screening compound: ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C284-0520
ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate

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

C284-0520

Molecular Formula

C27H33N5O5 (C27 H33 N5 O5)

Compound Name

ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-3,4-dihydroquinazolin-3-yl)benzoate

IUPAC name

ethyl 4-(6-nitro-4-oxo-2-{[4-(pentan-3-yl)piperazin-1-yl]methyl}-34-dihydroquinazolin-3-yl)benzoate

SMILES

CCC(CC)N1CCN(CC(N2c(cc3)ccc3C(OCC)=O)=Nc(ccc([N+]([O-])=O)c3)c3C2=O)CC1

InChI

InChI=1S/C27H33N5O5/c1-4-20(5-2)30-15-13-29(14-16-30)18-25-28-24-12-11-22(32(35)36)17-23(24)26(33)31(25)21-9-7-19(8-10-21)27(34)37-6-3/h7-12,17,20H,4-6,13-16,18H2,1-3H3

InChI Key

XTJAHJAFRXAQHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

2.659

Water Solubility, LogSw

-3.78

Polar Surface Area

85.767

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C284-0520 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 C284-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C284-0520?
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What is the minimum amount of C284-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C284-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C284-0520
  • 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 C284-0520 available by request