C260-1087 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1087 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1087 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethoxyphenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1087
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-ethoxyphenyl)carbamoyl]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

C260-1087

Molecular Formula

C30H30N4O7 (C30 H30 N4 O7)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CN(c(cccc1)c1C(N1CCCC(NCc(cc2)cc3c2OCO3)=O)=O)C1=O)=O

InChI

InChI=1S/C30H30N4O7/c1-2-39-22-12-10-21(11-13-22)32-28(36)18-34-24-7-4-3-6-23(24)29(37)33(30(34)38)15-5-8-27(35)31-17-20-9-14-25-26(16-20)41-19-40-25/h3-4,6-7,9-14,16H,2,5,8,15,17-19H2,1H3,(H,31,35)(H,32,36)

InChI Key

BQMPCFXIZXQZIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

558.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.947

Distribution Coefficient, logD

2.947

Water Solubility, LogSw

-3.60

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

26.70

C260-1087 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 C260-1087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1087?
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What is the minimum amount of C260-1087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1087
  • 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 C260-1087 available by request