8012-7919 Screening compound: 5-(6,8-dibromo-3-nitro-2H-chromen-2-yl)-1,3-benzodioxole

8012-7919 Screening compound: 5-(6,8-dibromo-3-nitro-2H-chromen-2-yl)-1,3-benzodioxole
8012-7919 Screening compound: 5-(6,8-dibromo-3-nitro-2H-chromen-2-yl)-1,3-benzodioxole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7919
5-(6,8-dibromo-3-nitro-2H-chromen-2-yl)-1,3-benzodioxole

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

8012-7919

Molecular Formula

C16H9Br2NO5 (C16 H9 Br2 NO5)

Compound Name

5-(6,8-dibromo-3-nitro-2H-chromen-2-yl)-1,3-benzodioxole

IUPAC name

2-(2H-13-benzodioxol-5-yl)-68-dibromo-3-nitro-2H-chromene

SMILES

[O-][N+](C1=Cc2cc(Br)cc(Br)c2OC1c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C16H9Br2NO5/c17-10-3-9-4-12(19(20)21)16(24-15(9)11(18)6-10)8-1-2-13-14(5-8)23-7-22-13/h1-6,16H,7H2/t16-/m0/s1

InChI Key

RZUHNXGXNGGBBB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03308520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.06

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.466

Distribution Coefficient, logD

5.466

Water Solubility, LogSw

-5.96

Polar Surface Area

57.478

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

8012-7919 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 8012-7919 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7919?
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What is the minimum amount of 8012-7919 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7919
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7919
  • 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 8012-7919 available by request