K891-0438 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

K891-0438 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
K891-0438 Screening compound: 3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K891-0438
3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[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

K891-0438

Molecular Formula

C23H22N4OS2 (C23 H22 N4 OS2)

Compound Name

3-amino-4-(4-methylphenyl)-N~2~-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide

IUPAC name

6-amino-8-(4-methylphenyl)-N-(13-thiazol-2-yl)-4-thia-2-azatricyclo[7.5.0.0^{37}]tetradeca-1(9)257-tetraene-5-carboxamide

SMILES

Cc(cc1)ccc1-c1c(c(N)c(C(Nc2nccs2)=O)s2)c2nc2c1CCCCC2

InChI

InChI=1S/C23H22N4OS2/c1-13-7-9-14(10-8-13)17-15-5-3-2-4-6-16(15)26-22-18(17)19(24)20(30-22)21(28)27-23-25-11-12-29-23/h7-12H,2-6,24H2,1H3,(H,25,27,28)

InChI Key

YTRRMTGUTAMHDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03667133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.130

Distribution Coefficient, logD

6.128

Water Solubility, LogSw

-5.69

Polar Surface Area

64.396

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K891-0438 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Proteases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K891-0438 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K891-0438?
Check Price and Availability of K891-0438, 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 K891-0438 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K891-0438
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K891-0438
  • 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 K891-0438 available by request