C200-9650 Screening compound: 1-{3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-4-carboxylic acid

C200-9650 Screening compound: 1-{3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-4-carboxylic acid
C200-9650 Screening compound: 1-{3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-4-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-9650
1-{3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-4-carboxylic 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

C200-9650

Molecular Formula

C19H19N3O3S (C19 H19 N3 O3 S)

Compound Name

1-{3-benzyl-4-oxo-3H,4H-thieno[3,2-d]pyrimidin-2-yl}piperidine-4-carboxylic acid

IUPAC name

1-{3-benzyl-4-oxo-3H4H-thieno[32-d]pyrimidin-2-yl}piperidine-4-carboxylic acid

SMILES

OC(C(CC1)CCN1C(N(Cc1ccccc1)C1=O)=Nc2c1scc2)=O

InChI

InChI=1S/C19H19N3O3S/c23-17-16-15(8-11-26-16)20-19(21-9-6-14(7-10-21)18(24)25)22(17)12-13-4-2-1-3-5-13/h1-5,8,11,14H,6-7,9-10,12H2,(H,24,25)

InChI Key

FMJREPXOOBXTFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26962771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

-0.269

Water Solubility, LogSw

-2.40

Polar Surface Area

58.249

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C200-9650 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 C200-9650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-9650?
Check Price and Availability of C200-9650, 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 C200-9650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-9650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-9650
  • 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 C200-9650 available by request