C795-0228 Screening compound: [1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl](1-pyrrolidinyl)methanone

C795-0228 Screening compound: [1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl](1-pyrrolidinyl)methanone
C795-0228 Screening compound: [1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl](1-pyrrolidinyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0228
[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl](1-pyrrolidinyl)methanone

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

C795-0228

Molecular Formula

C20H21FN4OS (C20 H21 FN4 OS)

Compound Name

[1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidyl](1-pyrrolidinyl)methanone

IUPAC name

13-fluoro-6-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene

SMILES

O=C(C(CC1)CCN1c(ncnc12)c1sc1c2c(F)ccc1)N1CCCC1

InChI

InChI=1S/C20H21FN4OS/c21-14-4-3-5-15-16(14)17-18(27-15)19(23-12-22-17)24-10-6-13(7-11-24)20(26)25-8-1-2-9-25/h3-5,12-13H,1-2,6-11H2

InChI Key

ZLLKBLMMCZRNKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.210

Water Solubility, LogSw

-4.47

Polar Surface Area

41.680

Acid Dissociation Constant (pKa)

21.64

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C795-0228 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with C795-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0228?
Check Price and Availability of C795-0228, 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 C795-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0228
  • 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 C795-0228 available by request