C074-0133 Screening compound: methyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate

C074-0133 Screening compound: methyl 2-{[7-(4-ethoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
C074-0133 Screening compound: methyl 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 C074-0133
methyl 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

C074-0133

Molecular Formula

C25H25N3O3S (C25 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H25N3O3S/c1-4-21(25(29)30-3)32-24-22-20(17-9-7-6-8-10-17)15-28(23(22)26-16-27-24)18-11-13-19(14-12-18)31-5-2/h6-16,21H,4-5H2,1-3H3/t21-/m0/s1

InChI Key

APDKFHHHPHAMND-NRFANRHFSA-N

MDL Number (MFCD)

MFCD04453723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.959

Distribution Coefficient, logD

5.959

Water Solubility, LogSw

-5.76

Polar Surface Area

51.256

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C074-0133 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C074-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0133?
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What is the minimum amount of C074-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0133
  • 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 C074-0133 available by request