G008-3186 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

G008-3186 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide
G008-3186 Screening compound: N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G008-3186
N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

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

G008-3186

Molecular Formula

C21H22F3N3O3S2 (C21 H22 F3 N3 O3 S2)

Compound Name

N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophene-2-sulfonamide

IUPAC name

N-({1-[(4-methylphenyl)methyl]pyrrolidin-3-yl}methyl)-5-[5-(trifluoromethyl)-12-oxazol-3-yl]thiophene-2-sulfonamide

SMILES

Cc1ccc(CN2CC(CNS(c3ccc(-c4noc(C(F)(F)F)c4)s3)(=O)=O)CC2)cc1

InChI

InChI=1S/C21H22F3N3O3S2/c1-14-2-4-15(5-3-14)12-27-9-8-16(13-27)11-25-32(28,29)20-7-6-18(31-20)17-10-19(30-26-17)21(22,23)24/h2-7,10,16,25H,8-9,11-13H2,1H3/t16-/m1/s1

InChI Key

VVMWVYCADZBQDZ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14975674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.756

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-4.48

Polar Surface Area

68.582

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

10.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G008-3186 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 G008-3186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G008-3186?
Check Price and Availability of G008-3186, 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 G008-3186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G008-3186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G008-3186
  • 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 G008-3186 available by request