0488-0511 Screening compound: 1-(4-bromophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

0488-0511 Screening compound: 1-(4-bromophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
0488-0511 Screening compound: 1-(4-bromophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0488-0511
1-(4-bromophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic 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

0488-0511

Molecular Formula

C18H15BrN2O2 (C18 H15 BrN2 O2)

Compound Name

1-(4-bromophenyl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

IUPAC name

1-(4-bromophenyl)-1H2H3H4H9H-pyrido[34-b]indole-3-carboxylic acid

SMILES

OC(C(Cc1c2[nH]c3c1cccc3)NC2c(cc1)ccc1Br)=O

InChI

InChI=1S/C18H15BrN2O2/c19-11-7-5-10(6-8-11)16-17-13(9-15(21-16)18(22)23)12-3-1-2-4-14(12)20-17/h1-8,15-16,20-21H,9H2,(H,22,23)

InChI Key

FPBHUDMWBLCBLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00398777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.733

Distribution Coefficient, logD

0.197

Water Solubility, LogSw

-2.96

Polar Surface Area

51.207

Acid Dissociation Constant (pKa)

3.00

Base Dissociation Constant (pKb)

7.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

0488-0511 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 0488-0511 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0488-0511?
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What is the minimum amount of 0488-0511 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0488-0511
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0488-0511
  • 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 0488-0511 available by request