C260-1772 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C260-1772 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C260-1772 Screening compound: N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1772
N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)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

C260-1772

Molecular Formula

C27H26N4O5S (C27 H26 N4 O5 S)

Compound Name

N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

IUPAC name

N-[2-(benzylsulfanyl)ethyl]-3-{1-[(3-nitrophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}propanamide

SMILES

[O-][N+](c1cccc(CN(c(cccc2)c2C(N2CCC(NCCSCc3ccccc3)=O)=O)C2=O)c1)=O

InChI

InChI=1S/C27H26N4O5S/c32-25(28-14-16-37-19-20-7-2-1-3-8-20)13-15-29-26(33)23-11-4-5-12-24(23)30(27(29)34)18-21-9-6-10-22(17-21)31(35)36/h1-12,17H,13-16,18-19H2,(H,28,32)

InChI Key

KKHJLRMMXOOBRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.674

Distribution Coefficient, logD

3.674

Water Solubility, LogSw

-4.11

Polar Surface Area

88.940

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

C260-1772 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 C260-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1772?
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What is the minimum amount of C260-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1772
  • 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 C260-1772 available by request