C487-0283 Screening compound: 3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

C487-0283 Screening compound: 3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide
C487-0283 Screening compound: 3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C487-0283
3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

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

C487-0283

Molecular Formula

C32H28N4O5 (C32 H28 N4 O5)

Compound Name

3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-2,4-dioxo-N-(2-phenylethyl)-1,2,3,4-tetrahydroquinazoline-7-carboxamide

IUPAC name

3-(4-ethylphenyl)-1-[(3-nitrophenyl)methyl]-24-dioxo-N-(2-phenylethyl)-1234-tetrahydroquinazoline-7-carboxamide

SMILES

CCc(cc1)ccc1N(C(c(ccc(C(NCCc1ccccc1)=O)c1)c1N1Cc2cccc([N+]([O-])=O)c2)=O)C1=O

InChI

InChI=1S/C32H28N4O5/c1-2-22-11-14-26(15-12-22)35-31(38)28-16-13-25(30(37)33-18-17-23-7-4-3-5-8-23)20-29(28)34(32(35)39)21-24-9-6-10-27(19-24)36(40)41/h3-16,19-20H,2,17-18,21H2,1H3,(H,33,37)

InChI Key

XDXNYGIPUGJQEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14761560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

548.6

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.163

Distribution Coefficient, logD

5.163

Water Solubility, LogSw

-4.98

Polar Surface Area

88.292

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.60

C487-0283 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C487-0283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C487-0283?
Check Price and Availability of C487-0283, 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 C487-0283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C487-0283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C487-0283
  • 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 C487-0283 available by request