C777-0255 Screening compound: methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0255 Screening compound: methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0255 Screening compound: methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0255
methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

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

C777-0255

Molecular Formula

C19H15FN2O3S (C19 H15 FN2 O3 S)

Compound Name

methyl 4-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

IUPAC name

methyl 4-{[2-(2-fluorophenyl)-5-methyl-13-oxazol-4-yl]methyl}-4H-thieno[32-b]pyrrole-5-carboxylate

SMILES

Cc1c(Cn(c(C(OC)=O)c2)c3c2scc3)nc(-c(cccc2)c2F)o1

InChI

InChI=1S/C19H15FN2O3S/c1-11-14(21-18(25-11)12-5-3-4-6-13(12)20)10-22-15-7-8-26-17(15)9-16(22)19(23)24-2/h3-9H,10H2,1-2H3

InChI Key

FFKUSTTWOKXXAR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

4.028

Water Solubility, LogSw

-4.35

Polar Surface Area

41.007

Acid Dissociation Constant (pKa)

28.29

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

C777-0255 in Drug Discovery

Included in Screening Libraries

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

Human Proteases Annotated Library (2868 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C777-0255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0255?
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What is the minimum amount of C777-0255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0255
  • 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 C777-0255 available by request