C260-2081 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

C260-2081 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide
C260-2081 Screening compound: N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2081
N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

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

C260-2081

Molecular Formula

C29H29ClN4O5 (C29 H29 ClN4 O5)

Compound Name

N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)pentanamide

IUPAC name

N-[(2-chlorophenyl)methyl]-5-(1-{[(3-methoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)pentanamide

SMILES

COc1cccc(NC(CN(c(cccc2)c2C(N2CCCCC(NCc(cccc3)c3Cl)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C29H29ClN4O5/c1-39-22-11-8-10-21(17-22)32-27(36)19-34-25-14-5-3-12-23(25)28(37)33(29(34)38)16-7-6-15-26(35)31-18-20-9-2-4-13-24(20)30/h2-5,8-14,17H,6-7,15-16,18-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

AFBRUWRUQMDKEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.37

Polar Surface Area

86.410

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-2081 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C260-2081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2081?
Check Price and Availability of C260-2081, 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 C260-2081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2081
  • 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 C260-2081 available by request