C074-0046 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate

C074-0046 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate
C074-0046 Screening compound: ethyl 2-{[7-(3-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C074-0046
ethyl 2-{[7-(3-fluorophenyl)-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

C074-0046

Molecular Formula

C24H22FN3O2S (C24 H22 FN3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(OCC)=O)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cc(F)ccc1

InChI

InChI=1S/C24H22FN3O2S/c1-3-20(24(29)30-4-2)31-23-21-19(16-9-6-5-7-10-16)14-28(22(21)26-15-27-23)18-12-8-11-17(25)13-18/h5-15,20H,3-4H2,1-2H3/t20-/m0/s1

InChI Key

CEZLQFJMEAELHI-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD04453646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.058

Distribution Coefficient, logD

6.058

Water Solubility, LogSw

-5.73

Polar Surface Area

43.712

Acid Dissociation Constant (pKa)

16.91

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with C074-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C074-0046?
Check Price and Availability of C074-0046, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C074-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C074-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C074-0046
  • 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 C074-0046 available by request