C700-0062 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

C700-0062 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide
C700-0062 Screening compound: N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C700-0062
N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

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

C700-0062

Molecular Formula

C34H38N2O2S2 (C34 H38 N2 O2 S2)

Compound Name

N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(2,5-dimethylphenyl)methyl]-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-2-ylidene]methyl}benzamide

IUPAC name

N-[3-(cyclohexylsulfanyl)propyl]-4-{[(2Z)-4-[(25-dimethylphenyl)methyl]-3-oxo-34-dihydro-2H-14-benzothiazin-2-ylidene]methyl}benzamide

SMILES

Cc1cc(CN(c(cccc2)c2S/C2=C\c(cc3)ccc3C(NCCCSC3CCCCC3)=O)C2=O)c(C)cc1

InChI

InChI=1S/C34H38N2O2S2/c1-24-13-14-25(2)28(21-24)23-36-30-11-6-7-12-31(30)40-32(34(36)38)22-26-15-17-27(18-16-26)33(37)35-19-8-20-39-29-9-4-3-5-10-29/h6-7,11-18,21-22,29H,3-5,8-10,19-20,23H2,1-2H3,(H,35,37)

InChI Key

GCYHSWQXEYBNRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14784495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.82

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.205

Distribution Coefficient, logD

8.205

Water Solubility, LogSw

-5.41

Polar Surface Area

39.517

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

References: we are preparing a list of scientific research reports with C700-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C700-0062?
Check Price and Availability of C700-0062, 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 C700-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C700-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C700-0062
  • 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 C700-0062 available by request