V008-6823 Screening compound: ethyl 4-{[(2,3-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

V008-6823 Screening compound: ethyl 4-{[(2,3-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
V008-6823 Screening compound: ethyl 4-{[(2,3-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-6823
ethyl 4-{[(2,3-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

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

V008-6823

Molecular Formula

C23H25N3O3 (C23 H25 N3 O3)

Compound Name

ethyl 4-{[(2,3-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

IUPAC name

ethyl 4-{[(23-dimethylphenyl)methyl]amino}-2-(4-methoxyphenyl)pyrimidine-5-carboxylate

SMILES

CCOC(c1c(NCc2c(C)c(C)ccc2)nc(-c(cc2)ccc2OC)nc1)=O

InChI

InChI=1S/C23H25N3O3/c1-5-29-23(27)20-14-25-21(17-9-11-19(28-4)12-10-17)26-22(20)24-13-18-8-6-7-15(2)16(18)3/h6-12,14H,5,13H2,1-4H3,(H,24,25,26)

InChI Key

PXHVJLWJUPJZRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19965388

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

391.47

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

5.683

Distribution Coefficient, logD

5.683

Water Solubility, LogSw

-5.38

Polar Surface Area

58.231

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

V008-6823 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Ion Channels
  • Kinases

References: we are preparing a list of scientific research reports with V008-6823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-6823?
Check Price and Availability of V008-6823, 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 V008-6823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-6823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-6823
  • 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 V008-6823 available by request