C795-0227 Screening compound: N~4~-(2-chlorobenzyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide

C795-0227 Screening compound: N~4~-(2-chlorobenzyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide
C795-0227 Screening compound: N~4~-(2-chlorobenzyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0227
N~4~-(2-chlorobenzyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide

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

C795-0227

Molecular Formula

C23H20ClFN4OS (C23 H20 ClFN4 OS)

Compound Name

N~4~-(2-chlorobenzyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-1-{13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-6-yl}piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c1ncnc2c1sc1c2c(F)ccc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C23H20ClFN4OS/c24-16-5-2-1-4-15(16)12-26-23(30)14-8-10-29(11-9-14)22-21-20(27-13-28-22)19-17(25)6-3-7-18(19)31-21/h1-7,13-14H,8-12H2,(H,26,30)

InChI Key

KKISFAOGRFNQGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.294

Water Solubility, LogSw

-5.96

Polar Surface Area

49.079

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C795-0227 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C795-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0227?
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What is the minimum amount of C795-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0227
  • 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 C795-0227 available by request