C074-0076 Screening compound: methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate

C074-0076 Screening compound: methyl 2-{[7-(2-methoxyphenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}propanoate
C074-0076 Screening compound: methyl 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 C074-0076
methyl 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

C074-0076

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-15(23(27)29-3)30-22-20-17(16-9-5-4-6-10-16)13-26(21(20)24-14-25-22)18-11-7-8-12-19(18)28-2/h4-15H,1-3H3/t15-/m0/s1

InChI Key

FXKQHHWIDCWPAT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD04453671

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.850

Distribution Coefficient, logD

4.849

Water Solubility, LogSw

-4.78

Polar Surface Area

51.462

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C074-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0076?
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What is the minimum amount of C074-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0076
  • 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 C074-0076 available by request