C260-1213 Screening compound: 3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]propanamide

C260-1213 Screening compound: 3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]propanamide
C260-1213 Screening compound: 3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-1213
3-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(2-methoxyphenyl)methyl]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

C260-1213

Molecular Formula

C31H33N5O5 (C31 H33 N5 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(CCN(C(c(cccc2)c2N2CC(N(CC3)CCN3c3ccccc3)=O)=O)C2=O)=O)cccc1

InChI

InChI=1S/C31H33N5O5/c1-41-27-14-8-5-9-23(27)21-32-28(37)15-16-35-30(39)25-12-6-7-13-26(25)36(31(35)40)22-29(38)34-19-17-33(18-20-34)24-10-3-2-4-11-24/h2-14H,15-22H2,1H3,(H,32,37)

InChI Key

AXJATQFTTFRPSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14737676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.703

Distribution Coefficient, logD

2.703

Water Solubility, LogSw

-3.42

Polar Surface Area

83.000

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

C260-1213 in Drug Discovery

Included in Screening Libraries

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 C260-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-1213?
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What is the minimum amount of C260-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-1213
  • 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 C260-1213 available by request