4554-5280 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6,8-dichloro-2H-chromen-2-one

4554-5280 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6,8-dichloro-2H-chromen-2-one
4554-5280 Screening compound: 3-(1H-1,3-benzodiazol-2-yl)-6,8-dichloro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-5280
3-(1H-1,3-benzodiazol-2-yl)-6,8-dichloro-2H-chromen-2-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

4554-5280

Molecular Formula

C16H8Cl2N2O2 (C16 H8 Cl2 N2 O2)

Compound Name

3-(1H-1,3-benzodiazol-2-yl)-6,8-dichloro-2H-chromen-2-one

IUPAC name

3-(1H-13-benzodiazol-2-yl)-68-dichloro-2H-chromen-2-one

SMILES

O=C(C(c1nc(cccc2)c2[nH]1)=Cc1cc(Cl)c2)Oc1c2Cl

InChI

InChI=1S/C16H8Cl2N2O2/c17-9-5-8-6-10(16(21)22-14(8)11(18)7-9)15-19-12-3-1-2-4-13(12)20-15/h1-7H,(H,19,20)

InChI Key

QQBULANVRUDXOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.16

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.366

Distribution Coefficient, logD

4.366

Water Solubility, LogSw

-4.74

Polar Surface Area

39.864

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4554-5280 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 4554-5280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-5280?
Check Price and Availability of 4554-5280, 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 4554-5280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-5280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-5280
  • 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 4554-5280 available by request