C260-1102 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

C260-1102 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide
C260-1102 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1102
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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

C260-1102

Molecular Formula

C32H33N5O6 (C32 H33 N5 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}butanamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-4-{24-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1234-tetrahydroquinazolin-3-yl}butanamide

SMILES

O=C(CCCN(C(c(cccc1)c1N1CC(N(CC2)CCN2c2ccccc2)=O)=O)C1=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C32H33N5O6/c38-29(33-20-23-12-13-27-28(19-23)43-22-42-27)11-6-14-36-31(40)25-9-4-5-10-26(25)37(32(36)41)21-30(39)35-17-15-34(16-18-35)24-7-2-1-3-8-24/h1-5,7-10,12-13,19H,6,11,14-18,20-22H2,(H,33,38)

InChI Key

AXZDXEIOJZEWNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

583.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-3.24

Polar Surface Area

92.485

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-1102 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C260-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1102?
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What is the minimum amount of C260-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1102
  • 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 C260-1102 available by request