F065-0602 Screening compound: ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

F065-0602 Screening compound: ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate
F065-0602 Screening compound: ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F065-0602
ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-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

F065-0602

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 1-methyl-4-({2-[(naphthalen-1-yl)carbamoyl]pyrrolidin-1-yl}sulfonyl)-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1cc(S(N(CCC2)C2C(Nc2cccc3ccccc23)=O)(=O)=O)cn1C)=O

InChI

InChI=1S/C23H25N3O5S/c1-3-31-23(28)21-14-17(15-25(21)2)32(29,30)26-13-7-12-20(26)22(27)24-19-11-6-9-16-8-4-5-10-18(16)19/h4-6,8-11,14-15,20H,3,7,12-13H2,1-2H3,(H,24,27)/t20-/m0/s1

InChI Key

NBBNLIBSJPKICD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27098309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.556

Distribution Coefficient, logD

2.556

Water Solubility, LogSw

-3.26

Polar Surface Area

77.972

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

F065-0602 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 F065-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F065-0602?
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What is the minimum amount of F065-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F065-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F065-0602
  • 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 F065-0602 available by request