K780-1024 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid

K780-1024 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid
K780-1024 Screening compound: 1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-1024
1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid

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

K780-1024

Molecular Formula

C16H14FN3O2S (C16 H14 FN3 O2 S)

Compound Name

1-(9-fluoro[1]benzothieno[3,2-d]pyrimidin-4-yl)-4-piperidinecarboxylic acid

IUPAC name

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

SMILES

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

InChI

InChI=1S/C16H14FN3O2S/c17-10-2-1-3-11-12(10)13-14(23-11)15(19-8-18-13)20-6-4-9(5-7-20)16(21)22/h1-3,8-9H,4-7H2,(H,21,22)

InChI Key

NNGDWRCZFYCQPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14281051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.036

Distribution Coefficient, logD

0.483

Water Solubility, LogSw

-3.18

Polar Surface Area

53.074

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

K780-1024 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K780-1024 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-1024?
Check Price and Availability of K780-1024, 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 K780-1024 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-1024
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-1024
  • 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 K780-1024 available by request