D306-0031 Screening compound: propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate

D306-0031 Screening compound: propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
D306-0031 Screening compound: propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0031
propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}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

D306-0031

Molecular Formula

C23H23N3O3S (C23 H23 N3 O3 S)

Compound Name

propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate

IUPAC name

propyl 3-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate

SMILES

CCCOC(c1cccc(NC(CSc2nc(C)nc(-c3ccccc3)c2)=O)c1)=O

InChI

InChI=1S/C23H23N3O3S/c1-3-12-29-23(28)18-10-7-11-19(13-18)26-21(27)15-30-22-14-20(24-16(2)25-22)17-8-5-4-6-9-17/h4-11,13-14H,3,12,15H2,1-2H3,(H,26,27)

InChI Key

LADMGMLOPSKAMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10480096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-5.42

Polar Surface Area

61.438

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

D306-0031 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • PPI modulators
  • Epigenetic

References: we are preparing a list of scientific research reports with D306-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0031?
Check Price and Availability of D306-0031, 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 D306-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0031
  • 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 D306-0031 available by request