C074-0130 Screening compound: ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate

C074-0130 Screening compound: ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
C074-0130 Screening compound: ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C074-0130
ethyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate

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

C074-0130

Molecular Formula

C26H27N3O3S (C26 H27 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)Sc1ncnc2c1c(-c1ccccc1)cn2-c(cc1)ccc1OCC

InChI

InChI=1S/C26H27N3O3S/c1-4-22(26(30)32-6-3)33-25-23-21(18-10-8-7-9-11-18)16-29(24(23)27-17-28-25)19-12-14-20(15-13-19)31-5-2/h7-17,22H,4-6H2,1-3H3/t22-/m0/s1

InChI Key

BQDGINPYCJAACB-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD04453720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.382

Distribution Coefficient, logD

6.382

Water Solubility, LogSw

-5.79

Polar Surface Area

50.836

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with C074-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0130?
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What is the minimum amount of C074-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0130
  • 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 C074-0130 available by request