C860-0820 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-fluorobenzyl)-4-piperidinecarboxamide

C860-0820 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-fluorobenzyl)-4-piperidinecarboxamide
C860-0820 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-fluorobenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0820
1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-N~4~-(4-fluorobenzyl)-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

C860-0820

Molecular Formula

C23H20F2N4OS (C23 H20 F2 N4 OS)

Compound Name

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

IUPAC name

1-{13-fluoro-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-6-yl}-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1c(ncnc12)c1sc1c2c(F)ccc1)NCc(cc1)ccc1F

InChI

InChI=1S/C23H20F2N4OS/c24-16-6-4-14(5-7-16)12-26-23(30)15-8-10-29(11-9-15)22-21-20(27-13-28-22)19-17(25)2-1-3-18(19)31-21/h1-7,13,15H,8-12H2,(H,26,30)

InChI Key

MLEJQQWTMNKOLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.5

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

4.578

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.61

Polar Surface Area

49.079

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C860-0820 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C860-0820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0820?
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What is the minimum amount of C860-0820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0820
  • 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 C860-0820 available by request