C260-2714 Screening compound: 4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(4-methylphenyl)methyl]butanamide

C260-2714 Screening compound: 4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(4-methylphenyl)methyl]butanamide
C260-2714 Screening compound: 4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(4-methylphenyl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2714
4-{2,4-dioxo-1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroquinazolin-3-yl}-N-[(4-methylphenyl)methyl]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

C260-2714

Molecular Formula

C32H35N5O4 (C32 H35 N5 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CCCN(C(c(cccc2)c2N2CC(N(CC3)CCN3c3ccccc3)=O)=O)C2=O)=O)cc1

InChI

InChI=1S/C32H35N5O4/c1-24-13-15-25(16-14-24)22-33-29(38)12-7-17-36-31(40)27-10-5-6-11-28(27)37(32(36)41)23-30(39)35-20-18-34(19-21-35)26-8-3-2-4-9-26/h2-6,8-11,13-16H,7,12,17-23H2,1H3,(H,33,38)

InChI Key

IDZBTQJJFCXDOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.651

Water Solubility, LogSw

-3.37

Polar Surface Area

75.369

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

C260-2714 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 C260-2714 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C260-2714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2714
  • 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 C260-2714 available by request