K891-0137 Screening compound: 3-amino-N~2~-benzyl-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0137 Screening compound: 3-amino-N~2~-benzyl-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0137 Screening compound: 3-amino-N~2~-benzyl-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0137
3-amino-N~2~-benzyl-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

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

K891-0137

Molecular Formula

C25H23N3OS (C25 H23 N3 OS)

Compound Name

3-amino-N~2~-benzyl-4-(4-methylphenyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-N-benzyl-8-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.0^{37}]dodeca-1(9)257-tetraene-5-carboxamide

SMILES

Cc(cc1)ccc1-c1c(c(N)c(C(NCc2ccccc2)=O)s2)c2nc2c1CCC2

InChI

InChI=1S/C25H23N3OS/c1-15-10-12-17(13-11-15)20-18-8-5-9-19(18)28-25-21(20)22(26)23(30-25)24(29)27-14-16-6-3-2-4-7-16/h2-4,6-7,10-13H,5,8-9,14,26H2,1H3,(H,27,29)

InChI Key

OHBZVOHGBLTBSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03664159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.79

Polar Surface Area

55.274

Acid Dissociation Constant (pKa)

12.90

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K891-0137 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K891-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0137?
Check Price and Availability of K891-0137, 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 K891-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0137
  • 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 K891-0137 available by request