8017-3005 Screening compound: 4-(8-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid

8017-3005 Screening compound: 4-(8-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid
8017-3005 Screening compound: 4-(8-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3005
4-(8-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)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

8017-3005

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

4-(8-{[(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl}-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl)benzoic acid

IUPAC name

4-{8-[(46-dimethylpyrimidin-2-yl)sulfamoyl]-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl}benzoic acid

SMILES

Cc1nc(NS(c(cc2)cc(C3C=CCC33)c2NC3c(cc2)ccc2C(O)=O)(=O)=O)nc(C)c1

InChI

InChI=1S/C25H24N4O4S/c1-14-12-15(2)27-25(26-14)29-34(32,33)18-10-11-22-21(13-18)19-4-3-5-20(19)23(28-22)16-6-8-17(9-7-16)24(30)31/h3-4,6-13,19-20,23,28H,5H2,1-2H3,(H,30,31)(H,26,27,29)

InChI Key

RQSGQRPIYBTUCZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-4.15

Polar Surface Area

100.697

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

24.00

8017-3005 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-3005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3005?
Check Price and Availability of 8017-3005, 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 8017-3005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3005
  • 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 8017-3005 available by request