C074-0073 Screening compound: ethyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate

C074-0073 Screening compound: ethyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
C074-0073 Screening compound: ethyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C074-0073
ethyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate

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

C074-0073

Molecular Formula

C24H23N3O3S (C24 H23 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c(cccc1)c1OC)=O

InChI

InChI=1S/C24H23N3O3S/c1-4-30-24(28)16(2)31-23-21-18(17-10-6-5-7-11-17)14-27(22(21)25-15-26-23)19-12-8-9-13-20(19)29-3/h5-16H,4H2,1-3H3/t16-/m0/s1

InChI Key

OJXUXUKHOMNICI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04453670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.291

Distribution Coefficient, logD

5.290

Water Solubility, LogSw

-5.35

Polar Surface Area

51.041

Acid Dissociation Constant (pKa)

16.56

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

C074-0073 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C074-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0073?
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What is the minimum amount of C074-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0073
  • 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 C074-0073 available by request