C260-0774 Screening compound: N-[(4-fluorophenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-0774 Screening compound: N-[(4-fluorophenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-0774 Screening compound: N-[(4-fluorophenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-0774
N-[(4-fluorophenyl)methyl]-4-{1-[(4-nitrophenyl)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

C260-0774

Molecular Formula

C26H23FN4O5 (C26 H23 FN4 O5)

Compound Name

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

IUPAC name

N-[(4-fluorophenyl)methyl]-4-{1-[(4-nitrophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}butanamide

SMILES

[O-][N+](c1ccc(CN(c(cccc2)c2C(N2CCCC(NCc(cc3)ccc3F)=O)=O)C2=O)cc1)=O

InChI

InChI=1S/C26H23FN4O5/c27-20-11-7-18(8-12-20)16-28-24(32)6-3-15-29-25(33)22-4-1-2-5-23(22)30(26(29)34)17-19-9-13-21(14-10-19)31(35)36/h1-2,4-5,7-14H,3,6,15-17H2,(H,28,32)

InChI Key

GXAOUTQIHZKILB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.213

Distribution Coefficient, logD

3.213

Water Solubility, LogSw

-3.76

Polar Surface Area

89.098

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

-1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C260-0774 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 C260-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-0774?
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What is the minimum amount of C260-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-0774
  • 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 C260-0774 available by request