C200-0111 Screening compound: 2,4-DIOXO-3-PHENYL-N-(4-PHENYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE

C200-0111 Screening compound: 2,4-DIOXO-3-PHENYL-N-(4-PHENYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE
C200-0111 Screening compound: 2,4-DIOXO-3-PHENYL-N-(4-PHENYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-0111
2,4-DIOXO-3-PHENYL-N-(4-PHENYLBUTAN-2-YL)-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

C200-0111

Molecular Formula

C25H23N3O3 (C25 H23 N3 O3)

Compound Name

2,4-DIOXO-3-PHENYL-N-(4-PHENYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROQUINAZOLINE-7-CARBOXAMIDE

IUPAC name

n/a

SMILES

CC(CCc1ccccc1)NC(c(cc1)cc(NC(N2c3ccccc3)=O)c1C2=O)=O

InChI

InChI=1S/C25H23N3O3/c1-17(12-13-18-8-4-2-5-9-18)26-23(29)19-14-15-21-22(16-19)27-25(31)28(24(21)30)20-10-6-3-7-11-20/h2-11,14-17H,12-13H2,1H3,(H,26,29)(H,27,31)/t17-/m0/s1

InChI Key

MMXBSERNQAAFAV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14725451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.597

Distribution Coefficient, logD

3.587

Water Solubility, LogSw

-3.88

Polar Surface Area

63.724

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

C200-0111 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Glucocorticoid receptors Library (4806 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-0111?
Check Price and Availability of C200-0111, 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 C200-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-0111
  • 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 C200-0111 available by request