3849-0230 Screening compound: 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

3849-0230 Screening compound: 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione
3849-0230 Screening compound: 4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3849-0230
4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

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

3849-0230

Molecular Formula

C17H14BrNO2 (C17 H14 BrNO2)

Compound Name

4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0~2,6~.0~8,10~]dodec-11-ene-3,5-dione

IUPAC name

4-(4-bromophenyl)-4-azatetracyclo[5.3.2.0^{26}.0^{810}]dodec-11-ene-35-dione

SMILES

O=C(C1C(C2C3C2)C=CC3C1C1=O)N1c(cc1)ccc1Br

InChI

InChI=1S/C17H14BrNO2/c18-8-1-3-9(4-2-8)19-16(20)14-10-5-6-11(13-7-12(10)13)15(14)17(19)21/h1-6,10-15H,7H2

InChI Key

DTIOBFWYEYETQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00511703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.21

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.653

Distribution Coefficient, logD

2.653

Water Solubility, LogSw

-2.82

Polar Surface Area

29.244

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

-6.45

Number of Chiral Centers

6.00

Percent sp3 carbon bonding

41.20

3849-0230 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3849-0230 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3849-0230?
Check Price and Availability of 3849-0230, 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 3849-0230 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3849-0230
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3849-0230
  • 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 3849-0230 available by request