C260-0970 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

C260-0970 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide
C260-0970 Screening compound: N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0970
N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

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

C260-0970

Molecular Formula

C29H29ClN4O5 (C29 H29 ClN4 O5)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCC(NCCc(cc2)ccc2Cl)=O)=O)C1=O)=O

InChI

InChI=1S/C29H29ClN4O5/c1-2-39-23-13-11-22(12-14-23)32-27(36)19-34-25-6-4-3-5-24(25)28(37)33(29(34)38)18-16-26(35)31-17-15-20-7-9-21(30)10-8-20/h3-14H,2,15-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

RMPKOTITUUXUKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737476

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

3.656

Distribution Coefficient, logD

3.656

Water Solubility, LogSw

-4.22

Polar Surface Area

85.831

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-0970 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 C260-0970 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0970?
Check Price and Availability of C260-0970, 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 C260-0970 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0970
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0970
  • 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 C260-0970 available by request