C074-0113 Screening compound: 7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine

C074-0113 Screening compound: 7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine
C074-0113 Screening compound: 7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C074-0113
7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine

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

C074-0113

Molecular Formula

C21H19N3OS (C21 H19 N3 OS)

Compound Name

7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine

IUPAC name

7-(4-ethoxyphenyl)-4-(methylsulfanyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidine

SMILES

CCOc(cc1)ccc1-n(cc1-c2ccccc2)c2c1c(SC)ncn2

InChI

InChI=1S/C21H19N3OS/c1-3-25-17-11-9-16(10-12-17)24-13-18(15-7-5-4-6-8-15)19-20(24)22-14-23-21(19)26-2/h4-14H,3H2,1-2H3

InChI Key

JBFAKTOFRBTMRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453703

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.252

Water Solubility, LogSw

-5.25

Polar Surface Area

30.082

Acid Dissociation Constant (pKa)

27.36

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C074-0113 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C074-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0113?
Check Price and Availability of C074-0113, 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 C074-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0113
  • 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 C074-0113 available by request