C788-1004 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

C788-1004 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one
C788-1004 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C788-1004
2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-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

C788-1004

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

IUPAC name

2-{[3-(2-methoxyphenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]sulfanyl}-1-(piperidin-1-yl)ethan-1-one

SMILES

Cc1nn2c(SCC(N3CCCCC3)=O)cc(C)nc2c1-c(cccc1)c1OC

InChI

InChI=1S/C22H26N4O2S/c1-15-13-20(29-14-19(27)25-11-7-4-8-12-25)26-22(23-15)21(16(2)24-26)17-9-5-6-10-18(17)28-3/h5-6,9-10,13H,4,7-8,11-12,14H2,1-3H3

InChI Key

MZBHLISYTYNOJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

2.910

Water Solubility, LogSw

-3.35

Polar Surface Area

44.299

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with C788-1004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C788-1004?
Check Price and Availability of C788-1004, 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 C788-1004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C788-1004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C788-1004
  • 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 C788-1004 available by request