C200-6291 Screening compound: 2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide

C200-6291 Screening compound: 2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide
C200-6291 Screening compound: 2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-6291
2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide

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

C200-6291

Molecular Formula

C29H27ClFN3O3 (C29 H27 ClFN3 O3)

Compound Name

2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide

IUPAC name

2-(4-{1-[(2-chloro-4-fluorophenyl)methyl]-24-dioxo-1234-tetrahydroquinazolin-3-yl}phenyl)-N-cyclohexylacetamide

SMILES

O=C(Cc(cc1)ccc1N(C(c(cccc1)c1N1Cc(ccc(F)c2)c2Cl)=O)C1=O)NC1CCCCC1

InChI

InChI=1S/C29H27ClFN3O3/c30-25-17-21(31)13-12-20(25)18-33-26-9-5-4-8-24(26)28(36)34(29(33)37)23-14-10-19(11-15-23)16-27(35)32-22-6-2-1-3-7-22/h4-5,8-15,17,22H,1-3,6-7,16,18H2,(H,32,35)

InChI Key

GOTQYQHHAZTRAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.895

Distribution Coefficient, logD

4.895

Water Solubility, LogSw

-4.98

Polar Surface Area

54.581

Acid Dissociation Constant (pKa)

15.06

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

C200-6291 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

Structure:
  • 3D
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 C200-6291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-6291?
Check Price and Availability of C200-6291, 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 C200-6291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-6291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-6291
  • 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 C200-6291 available by request