1612-1090 Screening compound: 2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide

1612-1090 Screening compound: 2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide
1612-1090 Screening compound: 2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1612-1090
2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide

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

1612-1090

Molecular Formula

C17H13N3O5 (C17 H13 N3 O5)

Compound Name

2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide

IUPAC name

2-imino-N-(2-methoxyphenyl)-6-nitro-2H-chromene-3-carboxamide

SMILES

COc(cccc1)c1NC(C1=Cc(cc(cc2)[N+]([O-])=O)c2OC1=N)=O

InChI

InChI=1S/C17H13N3O5/c1-24-15-5-3-2-4-13(15)19-17(21)12-9-10-8-11(20(22)23)6-7-14(10)25-16(12)18/h2-9,18H,1H3,(H,19,21)

InChI Key

YQDHHGXYHBSKBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01246446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.654

Distribution Coefficient, logD

2.647

Water Solubility, LogSw

-3.25

Polar Surface Area

88.882

Acid Dissociation Constant (pKa)

9.18

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1612-1090 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 1612-1090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1612-1090?
Check Price and Availability of 1612-1090, 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 1612-1090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1612-1090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1612-1090
  • 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 1612-1090 available by request