C260-1757 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

C260-1757 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide
C260-1757 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1757
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

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

C260-1757

Molecular Formula

C29H28N4O7 (C29 H28 N4 O7)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)propanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-24-dioxo-1234-tetrahydroquinazolin-3-yl)propanamide

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C29H28N4O7/c1-2-38-21-10-8-20(9-11-21)31-27(35)17-33-23-6-4-3-5-22(23)28(36)32(29(33)37)14-13-26(34)30-16-19-7-12-24-25(15-19)40-18-39-24/h3-12,15H,2,13-14,16-18H2,1H3,(H,30,34)(H,31,35)

InChI Key

CXUIDEAYOKTTBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.200

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.69

Polar Surface Area

103.105

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C260-1757 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C260-1757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1757?
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What is the minimum amount of C260-1757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1757
  • 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 C260-1757 available by request