3272-1197 Screening compound: N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]acetamide

3272-1197 Screening compound: N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]acetamide
3272-1197 Screening compound: N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3272-1197
N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]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

3272-1197

Molecular Formula

C26H29ClN2O4S3 (C26 H29 ClN2 O4 S3)

Compound Name

N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]acetamide

IUPAC name

N-(2-{[(2-chlorophenyl)methyl]sulfanyl}ethyl)-2-[N-(4-ethoxyphenyl)4-(methylsulfanyl)benzenesulfonamido]acetamide

SMILES

CCOc(cc1)ccc1N(CC(NCCSCc(cccc1)c1Cl)=O)S(c(cc1)ccc1SC)(=O)=O

InChI

InChI=1S/C26H29ClN2O4S3/c1-3-33-22-10-8-21(9-11-22)29(36(31,32)24-14-12-23(34-2)13-15-24)18-26(30)28-16-17-35-19-20-6-4-5-7-25(20)27/h4-15H,3,16-19H2,1-2H3,(H,28,30)

InChI Key

SHTPWHZDXFOMPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01187238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.18

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.861

Distribution Coefficient, logD

5.861

Water Solubility, LogSw

-5.88

Polar Surface Area

63.229

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

3272-1197 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 3272-1197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3272-1197?
Check Price and Availability of 3272-1197, 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 3272-1197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3272-1197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3272-1197
  • 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 3272-1197 available by request