C700-1374 Screening compound: 2-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

C700-1374 Screening compound: 2-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
C700-1374 Screening compound: 2-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1374
2-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

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

C700-1374

Molecular Formula

C16H14N4O2S (C16 H14 N4 O2 S)

Compound Name

2-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-3H4H5H6H7H-cyclopenta[d]pyrimidin-4-one

SMILES

O=C1N(C=CC=C2)C2=NC(CSC(N2)=NC(CCC3)=C3C2=O)=C1

InChI

InChI=1S/C16H14N4O2S/c21-14-8-10(17-13-6-1-2-7-20(13)14)9-23-16-18-12-5-3-4-11(12)15(22)19-16/h1-2,6-8H,3-5,9H2,(H,18,19,22)

InChI Key

DFXWCCIIAZUPAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14785445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.488

Water Solubility, LogSw

-1.84

Polar Surface Area

60.824

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C700-1374 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C700-1374 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1374?
Check Price and Availability of C700-1374, 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 C700-1374 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1374
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1374
  • 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 C700-1374 available by request