0394-0714 Screening compound: 8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole]

0394-0714 Screening compound: 8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole]
0394-0714 Screening compound: 8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 0394-0714
8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole]

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

0394-0714

Molecular Formula

C19H16BrN3O5 (C19 H16 BrN3 O5)

Compound Name

8-bromo-1',3',3'-trimethyl-5',6-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole]

IUPAC name

8-bromo-1'3'3'-trimethyl-5'6-dinitro-1'3'-dihydrospiro[chromene-22'-indole]

SMILES

CC1(C)c(cc(cc2)[N+]([O-])=O)c2N(C)C1(C=Cc1cc([N+]([O-])=O)c2)Oc1c2Br

InChI

InChI=1S/C19H16BrN3O5/c1-18(2)14-9-12(22(24)25)4-5-16(14)21(3)19(18)7-6-11-8-13(23(26)27)10-15(20)17(11)28-19/h4-10H,1-3H3/t19-/m1/s1

InChI Key

KLZQMMNRSGCZAZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00352728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.539

Distribution Coefficient, logD

5.539

Water Solubility, LogSw

-5.55

Polar Surface Area

74.880

Acid Dissociation Constant (pKa)

28.59

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

0394-0714 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0394-0714 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0394-0714?
Check Price and Availability of 0394-0714, 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 0394-0714 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0394-0714
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0394-0714
  • 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 0394-0714 available by request