C794-1102 Screening compound: methyl 2-methyl-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate

C794-1102 Screening compound: methyl 2-methyl-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate
C794-1102 Screening compound: methyl 2-methyl-4-{[5-methyl-2-(2-thienyl)-1,3-oxazol-4-yl]methyl}-4H-thieno[3,2-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C794-1102
methyl 2-methyl-4-{[5-methyl-2-(2-thienyl)-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

C794-1102

Molecular Formula

C18H16N2O3S2 (C18 H16 N2 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(n(Cc2c(C)oc(-c3cccs3)n2)c(C(OC)=O)c2)c2s1

InChI

InChI=1S/C18H16N2O3S2/c1-10-7-13-16(25-10)8-14(18(21)22-3)20(13)9-12-11(2)23-17(19-12)15-5-4-6-24-15/h4-8H,9H2,1-3H3

InChI Key

VCKAOROKPRXARR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

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

4.545

Distribution Coefficient, logD

4.545

Water Solubility, LogSw

-4.48

Polar Surface Area

42.025

Acid Dissociation Constant (pKa)

28.62

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with C794-1102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C794-1102?
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What is the minimum amount of C794-1102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C794-1102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C794-1102
  • 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 C794-1102 available by request