C066-1354 Screening compound: 3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydroquinazolin-4-one

C066-1354 Screening compound: 3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydroquinazolin-4-one
C066-1354 Screening compound: 3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1354
3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydroquinazolin-4-one

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

C066-1354

Molecular Formula

C27H33N5O5S (C27 H33 N5 O5 S)

Compound Name

3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-3,4-dihydroquinazolin-4-one

IUPAC name

3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-6-[(4-methylpiperidin-1-yl)sulfonyl]-34-dihydroquinazolin-4-one

SMILES

CC(CC1)CCN1S(c(cc1)cc2c1N=CN(CC(N(CC1)CCN1c(cccc1)c1OC)=O)C2=O)(=O)=O

InChI

InChI=1S/C27H33N5O5S/c1-20-9-11-32(12-10-20)38(35,36)21-7-8-23-22(17-21)27(34)31(19-28-23)18-26(33)30-15-13-29(14-16-30)24-5-3-4-6-25(24)37-2/h3-8,17,19-20H,9-16,18H2,1-2H3

InChI Key

SCTXYFIOTYIJQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

539.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.339

Distribution Coefficient, logD

2.339

Water Solubility, LogSw

-3.02

Polar Surface Area

85.032

Acid Dissociation Constant (pKa)

26.32

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C066-1354 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 C066-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1354?
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What is the minimum amount of C066-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1354
  • 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 C066-1354 available by request