C260-1045 Screening compound: methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

C260-1045 Screening compound: methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate
C260-1045 Screening compound: methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1045
methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

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

C260-1045

Molecular Formula

C33H35N5O6 (C33 H35 N5 O6)

Compound Name

methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl)acetamido]benzoate

IUPAC name

methyl 2-[2-(3-{2-[(1-benzylpiperidin-4-yl)carbamoyl]ethyl}-24-dioxo-1234-tetrahydroquinazolin-1-yl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(cccc1)c1C(N1CCC(NC2CCN(Cc3ccccc3)CC2)=O)=O)C1=O)=O)=O

InChI

InChI=1S/C33H35N5O6/c1-44-32(42)25-11-5-7-13-27(25)35-30(40)22-38-28-14-8-6-12-26(28)31(41)37(33(38)43)20-17-29(39)34-24-15-18-36(19-16-24)21-23-9-3-2-4-10-23/h2-14,24H,15-22H2,1H3,(H,34,39)(H,35,40)

InChI Key

HSNZDRXJBZPSMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.890

Distribution Coefficient, logD

1.333

Water Solubility, LogSw

-3.48

Polar Surface Area

102.608

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

C260-1045 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C260-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1045?
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What is the minimum amount of C260-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1045
  • 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 C260-1045 available by request