P194-2654 Screening compound: 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-thienylmethyl)acetamide

P194-2654 Screening compound: 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-thienylmethyl)acetamide
P194-2654 Screening compound: 2-[2-[benzyl(methyl)amino]-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-thienylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-2654
2-[2-[benzyl(methyl)amino]-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-thienylmethyl)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

P194-2654

Molecular Formula

C20H22N4O2S (C20 H22 N4 O2 S)

Compound Name

2-[2-[benzyl(methyl)amino]-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-thienylmethyl)acetamide

IUPAC name

2-{2-[benzyl(methyl)amino]-4-methyl-6-oxo-16-dihydropyrimidin-1-yl}-N-[(thiophen-2-yl)methyl]acetamide

SMILES

CC(N=C(N(C)Cc1ccccc1)N1CC(NCc2cccs2)=O)=CC1=O

InChI

InChI=1S/C20H22N4O2S/c1-15-11-19(26)24(14-18(25)21-12-17-9-6-10-27-17)20(22-15)23(2)13-16-7-4-3-5-8-16/h3-11H,12-14H2,1-2H3,(H,21,25)

InChI Key

BYDQMRCXFHQENH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28999650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.425

Distribution Coefficient, logD

2.425

Water Solubility, LogSw

-2.69

Polar Surface Area

53.948

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

2.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P194-2654 in Drug Discovery

Included in Screening Libraries

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P194-2654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-2654?
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What is the minimum amount of P194-2654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-2654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-2654
  • 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 P194-2654 available by request