C860-0815 Screening compound: N~4~-(4-bromo-3-methylphenyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide

C860-0815 Screening compound: N~4~-(4-bromo-3-methylphenyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide
C860-0815 Screening compound: N~4~-(4-bromo-3-methylphenyl)-1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C860-0815
N~4~-(4-bromo-3-methylphenyl)-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

C860-0815

Molecular Formula

C23H20BrFN4OS (C23 H20 BrFN4 OS)

Compound Name

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

IUPAC name

N-(4-bromo-3-methylphenyl)-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(cc(cc1)NC(C(CC2)CCN2c2ncnc3c2sc2c3c(F)ccc2)=O)c1Br

InChI

InChI=1S/C23H20BrFN4OS/c1-13-11-15(5-6-16(13)24)28-23(30)14-7-9-29(10-8-14)22-21-20(26-12-27-22)19-17(25)3-2-4-18(19)31-21/h2-6,11-12,14H,7-10H2,1H3,(H,28,30)

InChI Key

QHZNPTZKVZMGEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

5.998

Water Solubility, LogSw

-5.79

Polar Surface Area

47.757

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C860-0815 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C860-0815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C860-0815?
Check Price and Availability of C860-0815, 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 C860-0815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C860-0815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C860-0815
  • 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 C860-0815 available by request