C074-0044 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate

C074-0044 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate
C074-0044 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C074-0044
ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate

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

C074-0044

Molecular Formula

C22H18FN3O2S (C22 H18 FN3 O2 S)

Compound Name

ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[23-d]pyrimidin-4-yl]sulfanyl}acetate

SMILES

CCOC(CSc1ncnc2c1c(-c1ccccc1)cn2-c1cc(F)ccc1)=O

InChI

InChI=1S/C22H18FN3O2S/c1-2-28-19(27)13-29-22-20-18(15-7-4-3-5-8-15)12-26(21(20)24-14-25-22)17-10-6-9-16(23)11-17/h3-12,14H,2,13H2,1H3

InChI Key

GTYLKPRDMMEDBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.965

Distribution Coefficient, logD

4.965

Water Solubility, LogSw

-4.73

Polar Surface Area

43.117

Acid Dissociation Constant (pKa)

18.92

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C074-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0044?
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What is the minimum amount of C074-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0044
  • 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 C074-0044 available by request