C860-0851 Screening compound: N~4~-[4-(acetylamino)phenyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide

C860-0851 Screening compound: N~4~-[4-(acetylamino)phenyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide
C860-0851 Screening compound: N~4~-[4-(acetylamino)phenyl]-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0851
N~4~-[4-(acetylamino)phenyl]-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

C860-0851

Molecular Formula

C24H22FN5O2S (C24 H22 FN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1NC(C(CC1)CCN1c(ncnc12)c1sc1c2c(F)ccc1)=O)=O

InChI

InChI=1S/C24H22FN5O2S/c1-14(31)28-16-5-7-17(8-6-16)29-24(32)15-9-11-30(12-10-15)23-22-21(26-13-27-23)20-18(25)3-2-4-19(20)33-22/h2-8,13,15H,9-12H2,1H3,(H,28,31)(H,29,32)

InChI Key

RYXRCIRSZFGASN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.21

Polar Surface Area

71.019

Acid Dissociation Constant (pKa)

11.97

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C860-0851 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0851?
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What is the minimum amount of C860-0851 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0851
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0851
  • 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 C860-0851 available by request