D068-0264 Screening compound: methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate

D068-0264 Screening compound: methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate
D068-0264 Screening compound: methyl 4-[(5-benzyl-6-methyl-2-phenylpyrimidin-4-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D068-0264
methyl 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

D068-0264

Molecular Formula

C26H23N3O2 (C26 H23 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cc2ccccc2)c(Nc(cc2)ccc2C(OC)=O)nc(-c2ccccc2)n1

InChI

InChI=1S/C26H23N3O2/c1-18-23(17-19-9-5-3-6-10-19)25(29-24(27-18)20-11-7-4-8-12-20)28-22-15-13-21(14-16-22)26(30)31-2/h3-16H,17H2,1-2H3,(H,27,28,29)

InChI Key

CCSOPYFXVIRREM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06123147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.816

Distribution Coefficient, logD

5.876

Water Solubility, LogSw

-5.87

Polar Surface Area

49.569

Acid Dissociation Constant (pKa)

18.22

Base Dissociation Constant (pKb)

8.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D068-0264 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D068-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D068-0264?
Check Price and Availability of D068-0264, 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 D068-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D068-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D068-0264
  • 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 D068-0264 available by request