C260-2186 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C260-2186 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C260-2186 Screening compound: N-[(2-chlorophenyl)methyl]-3-{1-[(3-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2186
N-[(2-chlorophenyl)methyl]-3-{1-[(3-fluorophenyl)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

C260-2186

Molecular Formula

C25H21ClFN3O3 (C25 H21 ClFN3 O3)

Compound Name

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

IUPAC name

N-[(2-chlorophenyl)methyl]-3-{1-[(3-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1Cc2cc(F)ccc2)=O)C1=O)NCc(cccc1)c1Cl

InChI

InChI=1S/C25H21ClFN3O3/c26-21-10-3-1-7-18(21)15-28-23(31)12-13-29-24(32)20-9-2-4-11-22(20)30(25(29)33)16-17-6-5-8-19(27)14-17/h1-11,14H,12-13,15-16H2,(H,28,31)

InChI Key

BCOJSLAXHYWYIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.53

Polar Surface Area

55.717

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C260-2186 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C260-2186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2186?
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What is the minimum amount of C260-2186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2186
  • 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 C260-2186 available by request