D034-0013 Screening compound: 10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid

D034-0013 Screening compound: 10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid
D034-0013 Screening compound: 10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0013
10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-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

D034-0013

Molecular Formula

C21H20BrNO2 (C21 H20 BrNO2)

Compound Name

10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0~2,11~.0~3,8~]pentadeca-3,5,7-triene-5-carboxylic acid

IUPAC name

10-(3-bromophenyl)-9-azatetracyclo[10.2.1.0^{211}.0^{38}]pentadeca-357-triene-5-carboxylic acid

SMILES

OC(c(cc1)cc(C2C3C4CC2CC4)c1NC3c1cccc(Br)c1)=O

InChI

InChI=1S/C21H20BrNO2/c22-15-3-1-2-13(9-15)20-19-12-5-4-11(8-12)18(19)16-10-14(21(24)25)6-7-17(16)23-20/h1-3,6-7,9-12,18-20,23H,4-5,8H2,(H,24,25)

InChI Key

PRVIDGRUYCUXKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.3

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.890

Distribution Coefficient, logD

3.984

Water Solubility, LogSw

-5.86

Polar Surface Area

41.016

Acid Dissociation Constant (pKa)

5.50

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with D034-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0013?
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What is the minimum amount of D034-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0013
  • 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 D034-0013 available by request