8012-7920 Screening compound: 6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene

8012-7920 Screening compound: 6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene
8012-7920 Screening compound: 6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7920
6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene

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

8012-7920

Molecular Formula

C18H15Br2NO5 (C18 H15 Br2 NO5)

Compound Name

6,8-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene

IUPAC name

68-dibromo-2-(4-ethoxy-3-methoxyphenyl)-3-nitro-2H-chromene

SMILES

CCOc(ccc(C(C([N+]([O-])=O)=Cc1cc(Br)c2)Oc1c2Br)c1)c1OC

InChI

InChI=1S/C18H15Br2NO5/c1-3-25-15-5-4-10(8-16(15)24-2)18-14(21(22)23)7-11-6-12(19)9-13(20)17(11)26-18/h4-9,18H,3H2,1-2H3/t18-/m0/s1

InChI Key

ZMKLYBASIXPGGQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD03133682

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.13

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.513

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-5.58

Polar Surface Area

55.204

Acid Dissociation Constant (pKa)

19.77

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

8012-7920 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7920?
Check Price and Availability of 8012-7920, 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 8012-7920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7920
  • 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 8012-7920 available by request