C260-2217 Screening compound: N-[(2-chlorophenyl)methyl]-4-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-2217 Screening compound: N-[(2-chlorophenyl)methyl]-4-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-2217 Screening compound: N-[(2-chlorophenyl)methyl]-4-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2217
N-[(2-chlorophenyl)methyl]-4-{1-[(cyclohexylcarbamoyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}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

C260-2217

Molecular Formula

C27H31ClN4O4 (C27 H31 ClN4 O4)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(NC2CCCCC2)=O)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C27H31ClN4O4/c28-22-13-6-4-9-19(22)17-29-24(33)15-8-16-31-26(35)21-12-5-7-14-23(21)32(27(31)36)18-25(34)30-20-10-2-1-3-11-20/h4-7,9,12-14,20H,1-3,8,10-11,15-18H2,(H,29,33)(H,30,34)

InChI Key

CZIWUVGUVHWFDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

511.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.87

Polar Surface Area

79.913

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with C260-2217 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2217?
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What is the minimum amount of C260-2217 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2217
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2217
  • 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 C260-2217 available by request