C260-1112 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

C260-1112 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide
C260-1112 Screening compound: N-[2-(4-chlorophenyl)ethyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1112
N-[2-(4-chlorophenyl)ethyl]-4-[(1-{[(3-methoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)methyl]benzamide

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

C260-1112

Molecular Formula

C33H29ClN4O5 (C33 H29 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(NC(CN(c(cccc2)c2C(N2Cc(cc3)ccc3C(NCCc(cc3)ccc3Cl)=O)=O)C2=O)=O)c1

InChI

InChI=1S/C33H29ClN4O5/c1-43-27-6-4-5-26(19-27)36-30(39)21-37-29-8-3-2-7-28(29)32(41)38(33(37)42)20-23-9-13-24(14-10-23)31(40)35-18-17-22-11-15-25(34)16-12-22/h2-16,19H,17-18,20-21H2,1H3,(H,35,40)(H,36,39)

InChI Key

YTXTXYZYWRFQJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.07

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-4.80

Polar Surface Area

86.215

Acid Dissociation Constant (pKa)

11.87

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.20

C260-1112 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1112?
Check Price and Availability of C260-1112, 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 C260-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1112
  • 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 C260-1112 available by request