8016-7327 Screening compound: N~1~-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-7-yl]phenyl}acetamide

8016-7327 Screening compound: N~1~-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-7-yl]phenyl}acetamide
8016-7327 Screening compound: N~1~-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-7-yl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7327
N~1~-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-7-yl]phenyl}acetamide

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

8016-7327

Molecular Formula

C22H19FN4O3S (C22 H19 FN4 O3 S)

Compound Name

N~1~-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridin-7-yl]phenyl}acetamide

IUPAC name

N-{4-[5-amino-6-cyano-4-(4-fluorophenyl)-11-dioxo-2H3H4H7H-1lambda6-thieno[32-b]pyridin-7-yl]phenyl}acetamide

SMILES

CC(Nc1ccc(C(C2=C3CCS2(=O)=O)C(C#N)=C(N)N3c(cc2)ccc2F)cc1)=O

InChI

InChI=1S/C22H19FN4O3S/c1-13(28)26-16-6-2-14(3-7-16)20-18(12-24)22(25)27(17-8-4-15(23)5-9-17)19-10-11-31(29,30)21(19)20/h2-9,20H,10-11,25H2,1H3,(H,26,28)/t20-/m0/s1

InChI Key

YWPKHKSJHPKESG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD05858747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.608

Distribution Coefficient, logD

1.608

Water Solubility, LogSw

-2.37

Polar Surface Area

91.282

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.18

8016-7327 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8016-7327 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8016-7327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7327
  • 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 8016-7327 available by request