D306-0037 Screening compound: methyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate

D306-0037 Screening compound: methyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
D306-0037 Screening compound: methyl 3-{2-[(6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0037
methyl 3-{2-[(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

D306-0037

Molecular Formula

C20H17N3O3S (C20 H17 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c1cccc(NC(CSc2ncnc(-c3ccccc3)c2)=O)c1)=O

InChI

InChI=1S/C20H17N3O3S/c1-26-20(25)15-8-5-9-16(10-15)23-18(24)12-27-19-11-17(21-13-22-19)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,23,24)

InChI Key

SHBZGAAVMJFMDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09982481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.293

Distribution Coefficient, logD

4.292

Water Solubility, LogSw

-4.33

Polar Surface Area

63.189

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D306-0037 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D306-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0037?
Check Price and Availability of D306-0037, 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 D306-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0037
  • 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 D306-0037 available by request