F285-1998 Screening compound: methyl 6-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate

F285-1998 Screening compound: methyl 6-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate
F285-1998 Screening compound: methyl 6-{[(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl]methyl}-6H-thieno[2,3-b]pyrrole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F285-1998
methyl 6-{[(1,2,3,4-tetrahydronaphthalen-1-yl)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

F285-1998

Molecular Formula

C20H20N2O3S (C20 H20 N2 O3 S)

Compound Name

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

IUPAC name

methyl 6-{[(1234-tetrahydronaphthalen-1-yl)carbamoyl]methyl}-6H-thieno[23-b]pyrrole-5-carboxylate

SMILES

COC(c(n1CC(NC(CCC2)c3c2cccc3)=O)cc2c1scc2)=O

InChI

InChI=1S/C20H20N2O3S/c1-25-20(24)17-11-14-9-10-26-19(14)22(17)12-18(23)21-16-8-4-6-13-5-2-3-7-15(13)16/h2-3,5,7,9-11,16H,4,6,8,12H2,1H3,(H,21,23)/t16-/m0/s1

InChI Key

OWOBTMGZKAHDRL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27111813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.86

Polar Surface Area

47.035

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

F285-1998 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F285-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F285-1998?
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What is the minimum amount of F285-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F285-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F285-1998
  • 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 F285-1998 available by request