C201-0696 Screening compound: 2-(chloromethyl)-3,4-dihydroquinazolin-4-one

C201-0696 Screening compound: 2-(chloromethyl)-3,4-dihydroquinazolin-4-one
C201-0696 Screening compound: 2-(chloromethyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-0696
2-(chloromethyl)-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

C201-0696

Molecular Formula

C9H7ClN2O (C9 H7 ClN2 O)

Compound Name

2-(chloromethyl)-3,4-dihydroquinazolin-4-one

IUPAC name

2-(chloromethyl)-34-dihydroquinazolin-4-one

SMILES

O=C1NC(CCl)=Nc2c1cccc2

InChI

InChI=1S/C9H7ClN2O/c10-5-8-11-7-4-2-1-3-6(7)9(13)12-8/h1-4H,5H2,(H,11,12,13)

InChI Key

KSLWZHWJFFDMMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01927196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

194.62

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.154

Distribution Coefficient, logD

1.112

Water Solubility, LogSw

-2.32

Polar Surface Area

35.172

Acid Dissociation Constant (pKa)

8.40

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C201-0696 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C201-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-0696?
Check Price and Availability of C201-0696, 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 C201-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-0696
  • 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 C201-0696 available by request