C260-1966 Screening compound: N-cyclopentyl-3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

C260-1966 Screening compound: N-cyclopentyl-3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide
C260-1966 Screening compound: N-cyclopentyl-3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1966
N-cyclopentyl-3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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

C260-1966

Molecular Formula

C28H33N5O4 (C28 H33 N5 O4)

Compound Name

N-cyclopentyl-3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}propanamide

IUPAC name

N-cyclopentyl-3-{24-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1234-tetrahydroquinazolin-3-yl}propanamide

SMILES

O=C(CCN(C(c(cccc1)c1N1CC(N(CC2)CCN2c2ccccc2)=O)=O)C1=O)NC1CCCC1

InChI

InChI=1S/C28H33N5O4/c34-25(29-21-8-4-5-9-21)14-15-32-27(36)23-12-6-7-13-24(23)33(28(32)37)20-26(35)31-18-16-30(17-19-31)22-10-2-1-3-11-22/h1-3,6-7,10-13,21H,4-5,8-9,14-20H2,(H,29,34)

InChI Key

SMBSIZJJKIBQJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.370

Distribution Coefficient, logD

2.370

Water Solubility, LogSw

-3.07

Polar Surface Area

75.461

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

C260-1966 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1966?
Check Price and Availability of C260-1966, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C260-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1966
  • 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 C260-1966 available by request