8008-9318 Screening compound: 3-{6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid

8008-9318 Screening compound: 3-{6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid
8008-9318 Screening compound: 3-{6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9318
3-{6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid

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

8008-9318

Molecular Formula

C18H17F4NO5 (C18 H17 F4 NO5)

Compound Name

3-{6-[(2,2,3,3-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid

IUPAC name

3-{6-[(2233-tetrafluoropropoxy)carbonyl]cyclohex-3-ene-1-amido}benzoic acid

SMILES

OC(c1cccc(NC(C(CC=CC2)C2C(OCC(C(F)F)(F)F)=O)=O)c1)=O

InChI

InChI=1S/C18H17F4NO5/c19-17(20)18(21,22)9-28-16(27)13-7-2-1-6-12(13)14(24)23-11-5-3-4-10(8-11)15(25)26/h1-5,8,12-13,17H,6-7,9H2,(H,23,24)(H,25,26)

InChI Key

ZFLJYPCTGLQGNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01460418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.919

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-4.00

Polar Surface Area

73.059

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.89

8008-9318 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8008-9318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9318?
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What is the minimum amount of 8008-9318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9318
  • 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 8008-9318 available by request