D306-0039 Screening compound: methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate

D306-0039 Screening compound: methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate
D306-0039 Screening compound: methyl 4-{2-[(2-methyl-6-phenylpyrimidin-4-yl)sulfanyl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D306-0039
methyl 4-{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

D306-0039

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(-c2ccccc2)cc(SCC(Nc(cc2)ccc2C(OC)=O)=O)n1

InChI

InChI=1S/C21H19N3O3S/c1-14-22-18(15-6-4-3-5-7-15)12-20(23-14)28-13-19(25)24-17-10-8-16(9-11-17)21(26)27-2/h3-12H,13H2,1-2H3,(H,24,25)

InChI Key

NMGHLSGHZUQENT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

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

4.464

Distribution Coefficient, logD

4.463

Water Solubility, LogSw

-4.32

Polar Surface Area

61.564

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

4.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D306-0039 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D306-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D306-0039?
Check Price and Availability of D306-0039, 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 D306-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D306-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D306-0039
  • 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 D306-0039 available by request