K788-4661 Screening compound: 3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)methyl]benzamide

K788-4661 Screening compound: 3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)methyl]benzamide
K788-4661 Screening compound: 3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4661
3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)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

K788-4661

Molecular Formula

C22H21ClN2O4S2 (C22 H21 ClN2 O4 S2)

Compound Name

3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)methyl]benzamide

IUPAC name

3-butanamido-4-(4-chlorobenzenesulfonyl)-N-[(thiophen-2-yl)methyl]benzamide

SMILES

CCCC(Nc(cc(cc1)C(NCc2cccs2)=O)c1S(c(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C22H21ClN2O4S2/c1-2-4-21(26)25-19-13-15(22(27)24-14-17-5-3-12-30-17)6-11-20(19)31(28,29)18-9-7-16(23)8-10-18/h3,5-13H,2,4,14H2,1H3,(H,24,27)(H,25,26)

InChI Key

DOKKDXQATQIYOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.421

Distribution Coefficient, logD

4.421

Water Solubility, LogSw

-4.57

Polar Surface Area

77.622

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

K788-4661 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K788-4661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4661?
Check Price and Availability of K788-4661, 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 K788-4661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4661
  • 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 K788-4661 available by request