C777-0845 Screening compound: methyl 2-ethyl-4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C777-0845 Screening compound: methyl 2-ethyl-4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C777-0845 Screening compound: methyl 2-ethyl-4-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C777-0845
methyl 2-ethyl-4-{[5-methyl-2-(2-methylphenyl)-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

C777-0845

Molecular Formula

C22H22N2O3S (C22 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1cc(n(Cc2c(C)oc(-c3c(C)cccc3)n2)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C22H22N2O3S/c1-5-15-10-18-20(28-15)11-19(22(25)26-4)24(18)12-17-14(3)27-21(23-17)16-9-7-6-8-13(16)2/h6-11H,5,12H2,1-4H3

InChI Key

OYSLJEBZJXCIDU-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.09

Polar Surface Area

41.007

Acid Dissociation Constant (pKa)

28.67

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with C777-0845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C777-0845?
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What is the minimum amount of C777-0845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C777-0845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C777-0845
  • 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 C777-0845 available by request