6220-8114 Screening compound: 4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one

6220-8114 Screening compound: 4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one
6220-8114 Screening compound: 4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-8114
4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one

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

6220-8114

Molecular Formula

C17H22N2O4 (C17 H22 N2 O4)

Compound Name

4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one

IUPAC name

4-[(2-ethylhexyl)amino]-3-nitro-2H-chromen-2-one

SMILES

CCCCC(CC)CNC(c(cccc1)c1OC1=O)=C1[N+]([O-])=O

InChI

InChI=1S/C17H22N2O4/c1-3-5-8-12(4-2)11-18-15-13-9-6-7-10-14(13)23-17(20)16(15)19(21)22/h6-7,9-10,12,18H,3-5,8,11H2,1-2H3/t12-/m0/s1

InChI Key

OBKGKSUACQQVPV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD01622759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.453

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.68

Polar Surface Area

65.165

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with 6220-8114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-8114?
Check Price and Availability of 6220-8114, 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 6220-8114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-8114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-8114
  • 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 6220-8114 available by request