F285-1092 Screening compound: methyl 6-{[(3-methylbutyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

F285-1092 Screening compound: methyl 6-{[(3-methylbutyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
F285-1092 Screening compound: methyl 6-{[(3-methylbutyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F285-1092
methyl 6-{[(3-methylbutyl)carbamoyl]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

F285-1092

Molecular Formula

C15H20N2O3S (C15 H20 N2 O3 S)

Compound Name

methyl 6-{[(3-methylbutyl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

IUPAC name

methyl 6-{[(3-methylbutyl)carbamoyl]methyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

CC(C)CCNC(Cn1c(scc2)c2cc1C(OC)=O)=O

InChI

InChI=1S/C15H20N2O3S/c1-10(2)4-6-16-13(18)9-17-12(15(19)20-3)8-11-5-7-21-14(11)17/h5,7-8,10H,4,6,9H2,1-3H3,(H,16,18)

InChI Key

SUPAUQUOFTYJKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.735

Water Solubility, LogSw

-3.36

Polar Surface Area

47.304

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

F285-1092 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F285-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F285-1092?
Check Price and Availability of F285-1092, 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 F285-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F285-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F285-1092
  • 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 F285-1092 available by request