1227-0099 Screening compound: 2-bromo-5-(diethylsulfamoyl)benzoic acid

1227-0099 Screening compound: 2-bromo-5-(diethylsulfamoyl)benzoic acid
1227-0099 Screening compound: 2-bromo-5-(diethylsulfamoyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1227-0099
2-bromo-5-(diethylsulfamoyl)benzoic acid

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

1227-0099

Molecular Formula

C11H14BrNO4S (C11 H14 BrNO4 S)

Compound Name

2-bromo-5-(diethylsulfamoyl)benzoic acid

IUPAC name

2-bromo-5-(diethylsulfamoyl)benzoic acid

SMILES

CCN(CC)S(c(cc1)cc(C(O)=O)c1Br)(=O)=O

InChI

InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)

InChI Key

SUMISZHUFQXXJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00760904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

-3.204

Water Solubility, LogSw

-2.66

Polar Surface Area

59.743

Acid Dissociation Constant (pKa)

1.74

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

1227-0099 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1227-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1227-0099?
Check Price and Availability of 1227-0099, 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 1227-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1227-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1227-0099
  • 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 1227-0099 available by request