D068-0263 Screening compound: ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate

D068-0263 Screening compound: ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
D068-0263 Screening compound: ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0263
ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate

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

D068-0263

Molecular Formula

C27H25N3O2 (C27 H25 N3 O2)

Compound Name

ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate

IUPAC name

ethyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1Nc1nc(-c2ccccc2)nc(C)c1Cc1ccccc1)=O

InChI

InChI=1S/C27H25N3O2/c1-3-32-27(31)22-14-16-23(17-15-22)29-26-24(18-20-10-6-4-7-11-20)19(2)28-25(30-26)21-12-8-5-9-13-21/h4-17H,3,18H2,1-2H3,(H,28,29,30)

InChI Key

ZDQFRHMIYDGQTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06123146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.327

Distribution Coefficient, logD

6.386

Water Solubility, LogSw

-5.84

Polar Surface Area

49.149

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

D068-0263 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with D068-0263 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0263?
Check Price and Availability of D068-0263, 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 D068-0263 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0263
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0263
  • 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 D068-0263 available by request