S023-3951 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-1-propanone

S023-3951 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-1-propanone
S023-3951 Screening compound: 3-(4-methoxyphenyl)-1-[4-(2-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S023-3951
3-(4-methoxyphenyl)-1-[4-(2-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-1-propanone

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

S023-3951

Molecular Formula

C21H27N5O2 (C21 H27 N5 O2)

Compound Name

3-(4-methoxyphenyl)-1-[4-(2-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-1-propanone

IUPAC name

3-(4-methoxyphenyl)-1-(4-{2-methyl-2H3H-imidazo[12-a]pyrazin-8-yl}piperazin-1-yl)propan-1-one

SMILES

CC(C1)N=C2N1C=CN=C2N(CC1)CCN1C(CCc(cc1)ccc1OC)=O

InChI

InChI=1S/C21H27N5O2/c1-16-15-26-10-9-22-20(21(26)23-16)25-13-11-24(12-14-25)19(27)8-5-17-3-6-18(28-2)7-4-17/h3-4,6-7,9-10,16H,5,8,11-15H2,1-2H3/t16-/m1/s1

InChI Key

VYANYPGHGRSADK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27616760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.433

Distribution Coefficient, logD

1.419

Water Solubility, LogSw

-1.73

Polar Surface Area

46.283

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

S023-3951 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with S023-3951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S023-3951?
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What is the minimum amount of S023-3951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S023-3951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S023-3951
  • 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 S023-3951 available by request