5948-1099 Screening compound: methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate

5948-1099 Screening compound: methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate
5948-1099 Screening compound: methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5948-1099
methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate

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

5948-1099

Molecular Formula

C21H23BrN2O4 (C21 H23 BrN2 O4)

Compound Name

methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate

IUPAC name

methyl 2-amino-4-(5-bromo-2-ethoxyphenyl)-7-(dimethylamino)-4H-chromene-3-carboxylate

SMILES

CCOc(cc1)c(C2C(C(OC)=O)=C(N)Oc3c2ccc(N(C)C)c3)cc1Br

InChI

InChI=1S/C21H23BrN2O4/c1-5-27-16-9-6-12(22)10-15(16)18-14-8-7-13(24(2)3)11-17(14)28-20(23)19(18)21(25)26-4/h6-11,18H,5,23H2,1-4H3/t18-/m0/s1

InChI Key

IOPHSCFJTQNVKJ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD05150132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.721

Water Solubility, LogSw

-4.72

Polar Surface Area

60.426

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

7.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

5948-1099 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5948-1099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5948-1099?
Check Price and Availability of 5948-1099, 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 5948-1099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5948-1099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5948-1099
  • 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 5948-1099 available by request