3043-0104 Screening compound: 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)anilino]carbonyl}benzoic acid

3043-0104 Screening compound: 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)anilino]carbonyl}benzoic acid
3043-0104 Screening compound: 2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)anilino]carbonyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3043-0104
2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)anilino]carbonyl}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

3043-0104

Molecular Formula

C23H20N2O5 (C23 H20 N2 O5)

Compound Name

2-{[4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-4-yl)anilino]carbonyl}benzoic acid

IUPAC name

2-[(4-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]decan-4-yl}phenyl)carbamoyl]benzoic acid

SMILES

OC(c(cccc1)c1C(Nc(cc1)ccc1N(C(C1C2C3CC1CC3)=O)C2=O)=O)=O

InChI

InChI=1S/C23H20N2O5/c26-20(16-3-1-2-4-17(16)23(29)30)24-14-7-9-15(10-8-14)25-21(27)18-12-5-6-13(11-12)19(18)22(25)28/h1-4,7-10,12-13,18-19H,5-6,11H2,(H,24,26)(H,29,30)

InChI Key

LIQCHDQJVWPGLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01933165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

-2.718

Water Solubility, LogSw

-2.59

Polar Surface Area

81.224

Acid Dissociation Constant (pKa)

2.96

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

30.40

3043-0104 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3043-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3043-0104?
Check Price and Availability of 3043-0104, 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 3043-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3043-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3043-0104
  • 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 3043-0104 available by request