C700-1007 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-ylsulfanyl}acetamide

C700-1007 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-ylsulfanyl}acetamide
C700-1007 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-1007
N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-ylsulfanyl}acetamide

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

C700-1007

Molecular Formula

C26H32ClNO3S (C26 H32 ClNO3 S)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-4-ylsulfanyl}acetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-{6-ethoxy-34-dihydrospiro[1-benzopyran-21'-cyclohexan]-4-ylsulfanyl}acetamide

SMILES

CCOc(cc1)cc2c1OC1(CCCCC1)CC2SCC(NCCc(cc1)ccc1Cl)=O

InChI

InChI=1S/C26H32ClNO3S/c1-2-30-21-10-11-23-22(16-21)24(17-26(31-23)13-4-3-5-14-26)32-18-25(29)28-15-12-19-6-8-20(27)9-7-19/h6-11,16,24H,2-5,12-15,17-18H2,1H3,(H,28,29)/t24-/m0/s1

InChI Key

CPPSXHATMWMOEW-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14785190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.701

Distribution Coefficient, logD

5.701

Water Solubility, LogSw

-5.80

Polar Surface Area

37.139

Acid Dissociation Constant (pKa)

13.69

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C700-1007 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C700-1007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-1007?
Check Price and Availability of C700-1007, 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 C700-1007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-1007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-1007
  • 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 C700-1007 available by request