C512-0109 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-3,4-dihydroquinazolin-4-one

C512-0109 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-3,4-dihydroquinazolin-4-one
C512-0109 Screening compound: 2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C512-0109
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-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

C512-0109

Molecular Formula

C27H27ClN4O (C27 H27 ClN4 O)

Compound Name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(4-ethylphenyl)-34-dihydroquinazolin-4-one

SMILES

CCc(cc1)ccc1N1C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C27H27ClN4O/c1-3-20-9-12-22(13-10-20)32-26(33)23-6-4-5-7-24(23)29-27(32)31-16-14-30(15-17-31)25-18-21(28)11-8-19(25)2/h4-13,18H,3,14-17H2,1-2H3

InChI Key

URJOTAKGVXSGAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14763271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.99

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.829

Distribution Coefficient, logD

5.828

Water Solubility, LogSw

-5.82

Polar Surface Area

31.170

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

C512-0109 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 C512-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C512-0109?
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What is the minimum amount of C512-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C512-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C512-0109
  • 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 C512-0109 available by request