6220-7885 Screening compound: 5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid

6220-7885 Screening compound: 5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid
6220-7885 Screening compound: 5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-7885
5-bromo-2-{[(tert-butoxy)carbonyl]amino}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

6220-7885

Molecular Formula

C12H14BrNO4 (C12 H14 BrNO4)

Compound Name

5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid

IUPAC name

5-bromo-2-{[(tert-butoxy)carbonyl]amino}benzoic acid

SMILES

CC(C)(C)OC(Nc(ccc(Br)c1)c1C(O)=O)=O

InChI

InChI=1S/C12H14BrNO4/c1-12(2,3)18-11(17)14-9-5-4-7(13)6-8(9)10(15)16/h4-6H,1-3H3,(H,14,17)(H,15,16)

InChI Key

XRMSYCMCKRUWJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01619006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.15

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.100

Distribution Coefficient, logD

-0.243

Water Solubility, LogSw

-4.19

Polar Surface Area

58.502

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

6220-7885 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Agro:
  • Agro
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with 6220-7885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-7885?
Check Price and Availability of 6220-7885, 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 6220-7885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-7885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-7885
  • 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 6220-7885 available by request