C260-1028 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

C260-1028 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide
C260-1028 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1028
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}pentanamide

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

C260-1028

Molecular Formula

C33H35N5O6 (C33 H35 N5 O6)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C33H35N5O6/c39-30(34-21-24-13-14-28-29(20-24)44-23-43-28)12-6-7-15-37-32(41)26-10-4-5-11-27(26)38(33(37)42)22-31(40)36-18-16-35(17-19-36)25-8-2-1-3-9-25/h1-5,8-11,13-14,20H,6-7,12,15-19,21-23H2,(H,34,39)

InChI Key

CGVDPUDTZHEQCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.67

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-3.49

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

33.30

References: we are preparing a list of scientific research reports with C260-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1028?
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What is the minimum amount of C260-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1028
  • 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 C260-1028 available by request