2135-0028 Screening compound: 3-(3,6-diiodo-9H-carbazol-9-yl)propanoic acid

2135-0028 Screening compound: 3-(3,6-diiodo-9H-carbazol-9-yl)propanoic acid
2135-0028 Screening compound: 3-(3,6-diiodo-9H-carbazol-9-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2135-0028
3-(3,6-diiodo-9H-carbazol-9-yl)propanoic 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

2135-0028

Molecular Formula

C15H11I2NO2 (C15 H11 I2 NO2)

Compound Name

3-(3,6-diiodo-9H-carbazol-9-yl)propanoic acid

IUPAC name

3-(36-diiodo-9H-carbazol-9-yl)propanoic acid

SMILES

OC(CCn1c(ccc(I)c2)c2c2c1ccc(I)c2)=O

InChI

InChI=1S/C15H11I2NO2/c16-9-1-3-13-11(7-9)12-8-10(17)2-4-14(12)18(13)6-5-15(19)20/h1-4,7-8H,5-6H2,(H,19,20)

InChI Key

XJSUQHRPTFXKBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.07

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.638

Distribution Coefficient, logD

2.856

Water Solubility, LogSw

-5.74

Polar Surface Area

29.576

Acid Dissociation Constant (pKa)

4.62

Base Dissociation Constant (pKb)

-1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

2135-0028 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2135-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2135-0028?
Check Price and Availability of 2135-0028, 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 2135-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2135-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2135-0028
  • 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 2135-0028 available by request