8005-2152 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide

8005-2152 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide
8005-2152 Screening compound: N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2152
N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide

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

8005-2152

Molecular Formula

C25H27BrN2O (C25 H27 BrN2 O)

Compound Name

N~1~-(3b,4,5,6,6a,7,9,9a,10,11,12,12a-dodecahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinolin-2-yl)-4-bromobenzamide

IUPAC name

N-{1-azapentacyclo[10.6.1.0^{37}.0^{819}.0^{1317}]nonadeca-81012(19)-trien-10-yl}-4-bromobenzamide

SMILES

O=C(c(cc1)ccc1Br)Nc(cc1C(CCC2)C2C2)cc3c1N2CC1C3CCC1

InChI

InChI=1S/C25H27BrN2O/c26-18-9-7-15(8-10-18)25(29)27-19-11-22-20-5-1-3-16(20)13-28-14-17-4-2-6-21(17)23(12-19)24(22)28/h7-12,16-17,20-21H,1-6,13-14H2,(H,27,29)

InChI Key

PQKUDYPBYPMZIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502738

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.41

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

4.927

Water Solubility, LogSw

-5.63

Polar Surface Area

27.652

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

48.00

References: we are preparing a list of scientific research reports with 8005-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2152?
Check Price and Availability of 8005-2152, 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 8005-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2152
  • 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 8005-2152 available by request