C777-1181 Screening compound: methyl 6-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

C777-1181 Screening compound: methyl 6-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
C777-1181 Screening compound: methyl 6-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-1181
methyl 6-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-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

C777-1181

Molecular Formula

C17H14N2O3S2 (C17 H14 N2 O3 S2)

Compound Name

methyl 6-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 6-{[5-methyl-2-(thiophen-2-yl)-13-oxazol-4-yl]methyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

Cc1c(Cn2c(scc3)c3cc2C(OC)=O)nc(-c2cccs2)o1

InChI

InChI=1S/C17H14N2O3S2/c1-10-12(18-15(22-10)14-4-3-6-23-14)9-19-13(17(20)21-2)8-11-5-7-24-16(11)19/h3-8H,9H2,1-2H3

InChI Key

WHYOLTWVSHCGIM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.44

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

4.089

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.30

Polar Surface Area

41.860

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.65

References: we are preparing a list of scientific research reports with C777-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-1181?
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What is the minimum amount of C777-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-1181
  • 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 C777-1181 available by request