C200-6829 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one

C200-6829 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one
C200-6829 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6829
1-(3-chloro-4-methylbenzenesulfonyl)-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-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

C200-6829

Molecular Formula

C19H20ClN3O3S (C19 H20 ClN3 O3 S)

Compound Name

1-(3-chloro-4-methylbenzenesulfonyl)-3',4'-dihydro-1'H-spiro[piperidine-4,2'-quinazolin]-4'-one

IUPAC name

1-(3-chloro-4-methylbenzenesulfonyl)-3'4'-dihydro-1'H-spiro[piperidine-42'-quinazolin]-4'-one

SMILES

Cc(ccc(S(N(CC1)CCC1(Nc1c2cccc1)NC2=O)(=O)=O)c1)c1Cl

InChI

InChI=1S/C19H20ClN3O3S/c1-13-6-7-14(12-16(13)20)27(25,26)23-10-8-19(9-11-23)21-17-5-3-2-4-15(17)18(24)22-19/h2-7,12,21H,8-11H2,1H3,(H,22,24)

InChI Key

NPBIQXVVIPKNPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08913997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.517

Distribution Coefficient, logD

3.517

Water Solubility, LogSw

-3.90

Polar Surface Area

68.261

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C200-6829 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C200-6829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6829?
Check Price and Availability of C200-6829, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C200-6829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6829
  • 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 C200-6829 available by request