8009-8566 Screening compound: 3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2,3-dihydro-1,3-thiazol-3-yl]propan-1-ol

8009-8566 Screening compound: 3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2,3-dihydro-1,3-thiazol-3-yl]propan-1-ol
8009-8566 Screening compound: 3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2,3-dihydro-1,3-thiazol-3-yl]propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-8566
3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2,3-dihydro-1,3-thiazol-3-yl]propan-1-ol

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

8009-8566

Molecular Formula

C23H24F3N3O4S2 (C23 H24 F3 N3 O4 S2)

Compound Name

3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-2,3-dihydro-1,3-thiazol-3-yl]propan-1-ol

IUPAC name

3-[(2E)-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-2-{[4-(trifluoromethoxy)phenyl]imino}-23-dihydro-13-thiazol-3-yl]propan-1-ol

SMILES

OCCCN(C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=CS1)/C1=N\c(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C23H24F3N3O4S2/c24-23(25,26)33-19-8-6-18(7-9-19)27-22-29(14-3-15-30)21(16-34-22)17-4-10-20(11-5-17)35(31,32)28-12-1-2-13-28/h4-11,16,30H,1-3,12-15H2

InChI Key

CKFVXXRBUFJXGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820741

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

527.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.928

Water Solubility, LogSw

-4.75

Polar Surface Area

66.222

Acid Dissociation Constant (pKa)

15.69

Base Dissociation Constant (pKb)

4.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

8009-8566 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-8566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-8566?
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What is the minimum amount of 8009-8566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-8566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-8566
  • 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 8009-8566 available by request