8016-5670 Screening compound: N~2~-(3-fluoro-2-methylphenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

8016-5670 Screening compound: N~2~-(3-fluoro-2-methylphenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide
8016-5670 Screening compound: N~2~-(3-fluoro-2-methylphenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-5670
N~2~-(3-fluoro-2-methylphenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

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

8016-5670

Molecular Formula

C18H18F2N2O3S (C18 H18 F2 N2 O3 S)

Compound Name

N~2~-(3-fluoro-2-methylphenyl)-1-[(4-fluorophenyl)sulfonyl]-2-pyrrolidinecarboxamide

IUPAC name

N-(3-fluoro-2-methylphenyl)-1-(4-fluorobenzenesulfonyl)pyrrolidine-2-carboxamide

SMILES

Cc(c(F)ccc1)c1NC(C(CCC1)N1S(c(cc1)ccc1F)(=O)=O)=O

InChI

InChI=1S/C18H18F2N2O3S/c1-12-15(20)4-2-5-16(12)21-18(23)17-6-3-11-22(17)26(24,25)14-9-7-13(19)8-10-14/h2,4-5,7-10,17H,3,6,11H2,1H3,(H,21,23)/t17-/m0/s1

InChI Key

USVAMCOVUYKJDF-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD05857408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

3.079

Water Solubility, LogSw

-3.40

Polar Surface Area

55.180

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

8016-5670 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-5670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-5670?
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What is the minimum amount of 8016-5670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-5670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-5670
  • 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 8016-5670 available by request