8009-1671 Screening compound: 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide

8009-1671 Screening compound: 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide
8009-1671 Screening compound: 4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-1671
4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-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

8009-1671

Molecular Formula

C30H32F3N3O4S2 (C30 H32 F3 N3 O4 S2)

Compound Name

4-[(2Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-2,3-dihydro-1,3-thiazol-4-yl]-N,N-diethylbenzene-1-sulfonamide

IUPAC name

4-[(2Z)-3-[2-(34-dimethoxyphenyl)ethyl]-2-{[3-(trifluoromethyl)phenyl]imino}-23-dihydro-13-thiazol-4-yl]-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1C(N1CCc(cc2)cc(OC)c2OC)=CS/C1=N\c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C30H32F3N3O4S2/c1-5-35(6-2)42(37,38)25-13-11-22(12-14-25)26-20-41-29(34-24-9-7-8-23(19-24)30(31,32)33)36(26)17-16-21-10-15-27(39-3)28(18-21)40-4/h7-15,18-20H,5-6,16-17H2,1-4H3

InChI Key

AAHGZXZWQFYNQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01461687

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

619.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.669

Distribution Coefficient, logD

6.669

Water Solubility, LogSw

-5.98

Polar Surface Area

57.639

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

4.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8009-1671 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8009-1671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-1671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-1671
  • 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 8009-1671 available by request