8007-6603 Screening compound: 4-tert-butyl-1-(2,2-dichlorocyclopropyl)-2-nitrobenzene

8007-6603 Screening compound: 4-tert-butyl-1-(2,2-dichlorocyclopropyl)-2-nitrobenzene
8007-6603 Screening compound: 4-tert-butyl-1-(2,2-dichlorocyclopropyl)-2-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6603
4-tert-butyl-1-(2,2-dichlorocyclopropyl)-2-nitrobenzene

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

8007-6603

Molecular Formula

C13H15Cl2NO2 (C13 H15 Cl2 NO2)

Compound Name

4-tert-butyl-1-(2,2-dichlorocyclopropyl)-2-nitrobenzene

IUPAC name

4-tert-butyl-1-(22-dichlorocyclopropyl)-2-nitrobenzene

SMILES

CC(C)(C)c1cc([N+]([O-])=O)c(C(C2)C2(Cl)Cl)cc1

InChI

InChI=1S/C13H15Cl2NO2/c1-12(2,3)8-4-5-9(10-7-13(10,14)15)11(6-8)16(17)18/h4-6,10H,7H2,1-3H3/t10-/m0/s1

InChI Key

PPMNBDHXQKWEDM-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00561902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.17

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.066

Distribution Coefficient, logD

5.066

Water Solubility, LogSw

-5.37

Polar Surface Area

33.571

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

8007-6603 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with 8007-6603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6603?
Check Price and Availability of 8007-6603, 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 8007-6603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6603
  • 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 8007-6603 available by request