6737-2069 Screening compound: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate

6737-2069 Screening compound: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate
6737-2069 Screening compound: 3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6737-2069
3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate

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

6737-2069

Molecular Formula

C19H13BrF3NO5 (C19 H13 BrF3 NO5)

Compound Name

3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl N,N-dimethylcarbamate

IUPAC name

3-(2-bromophenoxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-7-yl NN-dimethylcarbamate

SMILES

CN(C)C(Oc(cc1)cc(OC(C(F)(F)F)=C2Oc(cccc3)c3Br)c1C2=O)=O

InChI

InChI=1S/C19H13BrF3NO5/c1-24(2)18(26)27-10-7-8-11-14(9-10)29-17(19(21,22)23)16(15(11)25)28-13-6-4-3-5-12(13)20/h3-9H,1-2H3

InChI Key

LKGKQANEOWCQSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03994742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.085

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.47

Polar Surface Area

49.650

Acid Dissociation Constant (pKa)

32.91

Base Dissociation Constant (pKb)

-1.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

6737-2069 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6737-2069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6737-2069?
Check Price and Availability of 6737-2069, 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 6737-2069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6737-2069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6737-2069
  • 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 6737-2069 available by request