5857-0049 Screening compound: 2-amino-4-(3-bromo-4,5-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

5857-0049 Screening compound: 2-amino-4-(3-bromo-4,5-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile
5857-0049 Screening compound: 2-amino-4-(3-bromo-4,5-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5857-0049
2-amino-4-(3-bromo-4,5-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

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

5857-0049

Molecular Formula

C24H21BrN2O3 (C24 H21 BrN2 O3)

Compound Name

2-amino-4-(3-bromo-4,5-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

IUPAC name

2-amino-4-(3-bromo-45-diethoxyphenyl)-4H-benzo[h]chromene-3-carbonitrile

SMILES

CCOc1cc(C2C(C#N)=C(N)Oc3c2ccc2ccccc23)cc(Br)c1OCC

InChI

InChI=1S/C24H21BrN2O3/c1-3-28-20-12-15(11-19(25)23(20)29-4-2)21-17-10-9-14-7-5-6-8-16(14)22(17)30-24(27)18(21)13-26/h5-12,21H,3-4,27H2,1-2H3/t21-/m0/s1

InChI Key

UMQGXHFZCZUINX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03828209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.379

Distribution Coefficient, logD

5.379

Water Solubility, LogSw

-6.61

Polar Surface Area

60.214

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 5857-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5857-0049?
Check Price and Availability of 5857-0049, 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 5857-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5857-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5857-0049
  • 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 5857-0049 available by request