C260-2221 Screening compound: 4-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide

C260-2221 Screening compound: 4-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide
C260-2221 Screening compound: 4-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2221
4-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide

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

C260-2221

Molecular Formula

C25H29ClN4O4 (C25 H29 ClN4 O4)

Compound Name

4-(1-{[(butan-2-yl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[(2-chlorophenyl)methyl]butanamide

IUPAC name

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

SMILES

CCC(C)NC(CN(c(cccc1)c1C(N1CCCC(NCc(cccc2)c2Cl)=O)=O)C1=O)=O

InChI

InChI=1S/C25H29ClN4O4/c1-3-17(2)28-23(32)16-30-21-12-7-5-10-19(21)24(33)29(25(30)34)14-8-13-22(31)27-15-18-9-4-6-11-20(18)26/h4-7,9-12,17H,3,8,13-16H2,1-2H3,(H,27,31)(H,28,32)/t17-/m0/s1

InChI Key

OLORVMLGUNYKGO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14738469

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.497

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.47

Polar Surface Area

79.901

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

6.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

C260-2221 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 C260-2221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2221?
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What is the minimum amount of C260-2221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2221
  • 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 C260-2221 available by request