C788-0868 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide

C788-0868 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide
C788-0868 Screening compound: 2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C788-0868
2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide

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

C788-0868

Molecular Formula

C25H26N4O2S (C25 H26 N4 O2 S)

Compound Name

2-{[3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide

IUPAC name

2-{[3-(2-methoxyphenyl)-25-dimethylpyrazolo[15-a]pyrimidin-7-yl]sulfanyl}-N-(1-phenylethyl)acetamide

SMILES

CC(c1ccccc1)NC(CSc(n1nc2C)cc(C)nc1c2-c(cccc1)c1OC)=O

InChI

InChI=1S/C25H26N4O2S/c1-16-14-23(32-15-22(30)27-17(2)19-10-6-5-7-11-19)29-25(26-16)24(18(3)28-29)20-12-8-9-13-21(20)31-4/h5-14,17H,15H2,1-4H3,(H,27,30)/t17-/m0/s1

InChI Key

YUNBFYDDGUKBHO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14795446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.738

Distribution Coefficient, logD

3.556

Water Solubility, LogSw

-4.18

Polar Surface Area

51.542

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

7.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C788-0868 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C788-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C788-0868?
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What is the minimum amount of C788-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C788-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C788-0868
  • 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 C788-0868 available by request