T604-0099 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-3,4-dihydropyrimidin-4-one

T604-0099 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-3,4-dihydropyrimidin-4-one
T604-0099 Screening compound: 5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T604-0099
5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-3,4-dihydropyrimidin-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

T604-0099

Molecular Formula

C19H19N3O2 (C19 H19 N3 O2)

Compound Name

5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-3,4-dihydropyrimidin-4-one

IUPAC name

5-(2-hydroxyethyl)-6-methyl-2-phenyl-3-[(pyridin-4-yl)methyl]-34-dihydropyrimidin-4-one

SMILES

CC(N=C(c1ccccc1)N1Cc2ccncc2)=C(CCO)C1=O

InChI

InChI=1S/C19H19N3O2/c1-14-17(9-12-23)19(24)22(13-15-7-10-20-11-8-15)18(21-14)16-5-3-2-4-6-16/h2-8,10-11,23H,9,12-13H2,1H3

InChI Key

WIVRHOGFNGSDGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.194

Distribution Coefficient, logD

1.192

Water Solubility, LogSw

-1.40

Polar Surface Area

51.085

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

T604-0099 in Drug Discovery

Included in Screening Libraries

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

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with T604-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T604-0099?
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What is the minimum amount of T604-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T604-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T604-0099
  • 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 T604-0099 available by request