4085-0056 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone

4085-0056 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone
4085-0056 Screening compound: (3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4085-0056
(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone

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

4085-0056

Molecular Formula

C19H17BrN2OS (C19 H17 BrN2 OS)

Compound Name

(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridin-2-yl)(4-bromophenyl)methanone

IUPAC name

5-(4-bromobenzoyl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-13(7)58-tetraen-6-amine

SMILES

Nc1c(C(c(cc2)ccc2Br)=O)sc2c1cc(CCCCC1)c1n2

InChI

InChI=1S/C19H17BrN2OS/c20-13-8-6-11(7-9-13)17(23)18-16(21)14-10-12-4-2-1-3-5-15(12)22-19(14)24-18/h6-10H,1-5,21H2

InChI Key

GRRTUCRNYVKIEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01994722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.33

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

5.828

Distribution Coefficient, logD

5.826

Water Solubility, LogSw

-5.96

Polar Surface Area

44.565

Acid Dissociation Constant (pKa)

19.66

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4085-0056 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4085-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4085-0056?
Check Price and Availability of 4085-0056, 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 4085-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4085-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4085-0056
  • 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 4085-0056 available by request