C260-1109 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide

C260-1109 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide
C260-1109 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-bromo-2-fluorophenyl)carbamoyl]methyl}-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1109
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(1-{[(4-bromo-2-fluorophenyl)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

C260-1109

Molecular Formula

C28H24BrFN4O6 (C28 H24 BrFN4 O6)

Compound Name

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

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(Nc(ccc(Br)c2)c2F)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C28H24BrFN4O6/c29-18-8-9-21(20(30)13-18)32-26(36)15-34-22-5-2-1-4-19(22)27(37)33(28(34)38)11-3-6-25(35)31-14-17-7-10-23-24(12-17)40-16-39-23/h1-2,4-5,7-10,12-13H,3,6,11,14-16H2,(H,31,35)(H,32,36)

InChI Key

CLZXCFREQUBIPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.258

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.64

Polar Surface Area

95.284

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

6.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C260-1109 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C260-1109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1109?
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What is the minimum amount of C260-1109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1109
  • 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 C260-1109 available by request