C287-0902 Screening compound: 2-[(1-ACETYL-5-BROMO-2

C287-0902 Screening compound: 2-[(1-ACETYL-5-BROMO-2
C287-0902 Screening compound: 2-[(1-ACETYL-5-BROMO-2 alternative view

Chemical Structure Depiction of ChemDiv screening compound C287-0902
2-[(1-ACETYL-5-BROMO-2

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

C287-0902

Molecular Formula

C19H19BrN2O4S (C19 H19 BrN2 O4 S)

Compound Name

2-[(1-ACETYL-5-BROMO-2

IUPAC name

n/a

SMILES

CC(N(CCc1c2)c1cc(S(CC(Nc1cc(C)ccc1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C19H19BrN2O4S/c1-12-4-3-5-15(8-12)21-19(24)11-27(25,26)18-10-17-14(9-16(18)20)6-7-22(17)13(2)23/h3-5,8-10H,6-7,11H2,1-2H3,(H,21,24)

InChI Key

NQPAUPZXYITGNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.875

Distribution Coefficient, logD

2.875

Water Solubility, LogSw

-3.44

Polar Surface Area

68.571

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

-2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

C287-0902 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C287-0902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C287-0902?
Check Price and Availability of C287-0902, 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 C287-0902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C287-0902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C287-0902
  • 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 C287-0902 available by request