3788-0494 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)acetamide

3788-0494 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)acetamide
3788-0494 Screening compound: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3788-0494
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)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

3788-0494

Molecular Formula

C29H25N3O4S2 (C29 H25 N3 O4 S2)

Compound Name

N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)acetamide

IUPAC name

N-[4-(6-methyl-13-benzothiazol-2-yl)phenyl]-2-(N-phenyl4-methoxybenzenesulfonamido)acetamide

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1NC(CN(c1ccccc1)S(c(cc1)ccc1OC)(=O)=O)=O)s2

InChI

InChI=1S/C29H25N3O4S2/c1-20-8-17-26-27(18-20)37-29(31-26)21-9-11-22(12-10-21)30-28(33)19-32(23-6-4-3-5-7-23)38(34,35)25-15-13-24(36-2)14-16-25/h3-18H,19H2,1-2H3,(H,30,33)

InChI Key

HQKXGWHBGOCPDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02806652

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.352

Distribution Coefficient, logD

6.352

Water Solubility, LogSw

-5.56

Polar Surface Area

71.934

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.30

3788-0494 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3788-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3788-0494?
Check Price and Availability of 3788-0494, 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 3788-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3788-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3788-0494
  • 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 3788-0494 available by request