C260-0072 Screening compound: 3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

C260-0072 Screening compound: 3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
C260-0072 Screening compound: 3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0072
3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

C260-0072

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

3-(4-methylphenyl)-1-[(4-nitrophenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

Cc(cc1)ccc1N(C(c(cccc1)c1N1Cc(cc2)ccc2[N+]([O-])=O)=O)C1=O

InChI

InChI=1S/C22H17N3O4/c1-15-6-10-17(11-7-15)24-21(26)19-4-2-3-5-20(19)23(22(24)27)14-16-8-12-18(13-9-16)25(28)29/h2-13H,14H2,1H3

InChI Key

IRKKDUFJKKMVAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.845

Water Solubility, LogSw

-4.02

Polar Surface Area

64.037

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C260-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0072?
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What is the minimum amount of C260-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0072
  • 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 C260-0072 available by request