8008-3663 Screening compound: N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]-2-pyrrolidinecarboxamide

8008-3663 Screening compound: N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]-2-pyrrolidinecarboxamide
8008-3663 Screening compound: N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]-2-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3663
N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]-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

8008-3663

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

N-(2,4-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]-2-pyrrolidinecarboxamide

IUPAC name

N-(24-dimethylphenyl)-1-[(2-nitrophenyl)sulfanyl]pyrrolidine-2-carboxamide

SMILES

Cc(cc1)cc(C)c1NC(C(CCC1)N1Sc(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C19H21N3O3S/c1-13-9-10-15(14(2)12-13)20-19(23)17-7-5-11-21(17)26-18-8-4-3-6-16(18)22(24)25/h3-4,6,8-10,12,17H,5,7,11H2,1-2H3,(H,20,23)/t17-/m0/s1

InChI Key

PXTBJOKUDLPNDS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD01306101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.129

Distribution Coefficient, logD

4.126

Water Solubility, LogSw

-4.20

Polar Surface Area

60.113

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

5.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8008-3663 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 8008-3663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3663?
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What is the minimum amount of 8008-3663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3663
  • 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 8008-3663 available by request