C260-2131 Screening compound: 4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[(2-methoxyphenyl)methyl]benzamide

C260-2131 Screening compound: 4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[(2-methoxyphenyl)methyl]benzamide
C260-2131 Screening compound: 4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[(2-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2131
4-({1-[(2-cyanophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}methyl)-N-[(2-methoxyphenyl)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

C260-2131

Molecular Formula

C32H26N4O4 (C32 H26 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(c2ccc(CN(C(c(cccc3)c3N3Cc(cccc4)c4C#N)=O)C3=O)cc2)=O)cccc1

InChI

InChI=1S/C32H26N4O4/c1-40-29-13-7-4-9-25(29)19-34-30(37)23-16-14-22(15-17-23)20-36-31(38)27-11-5-6-12-28(27)35(32(36)39)21-26-10-3-2-8-24(26)18-33/h2-17H,19-21H2,1H3,(H,34,37)

InChI Key

LSTXMIAOGRNQDC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-4.43

Polar Surface Area

80.367

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

-4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C260-2131 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C260-2131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2131?
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What is the minimum amount of C260-2131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2131
  • 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 C260-2131 available by request