8012-4258 Screening compound: 6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene

8012-4258 Screening compound: 6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene
8012-4258 Screening compound: 6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4258
6-bromo-2-(3,4-diethoxyphenyl)-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

8012-4258

Molecular Formula

C19H18BrNO5 (C19 H18 BrNO5)

Compound Name

6-bromo-2-(3,4-diethoxyphenyl)-3-nitro-2H-chromene

IUPAC name

6-bromo-2-(34-diethoxyphenyl)-3-nitro-2H-chromene

SMILES

CCOc(ccc(C1Oc(ccc(Br)c2)c2C=C1[N+]([O-])=O)c1)c1OCC

InChI

InChI=1S/C19H18BrNO5/c1-3-24-17-7-5-12(11-18(17)25-4-2)19-15(21(22)23)10-13-9-14(20)6-8-16(13)26-19/h5-11,19H,3-4H2,1-2H3/t19-/m1/s1

InChI Key

MLTNUTWAVASJRD-LJQANCHMSA-N

MDL Number (MFCD)

MFCD02934936

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.26

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.800

Distribution Coefficient, logD

4.800

Water Solubility, LogSw

-4.66

Polar Surface Area

55.099

Acid Dissociation Constant (pKa)

20.16

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8012-4258 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8012-4258 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4258?
Check Price and Availability of 8012-4258, 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 8012-4258 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4258
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4258
  • 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 8012-4258 available by request