7380-0057 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

7380-0057 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide
7380-0057 Screening compound: N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7380-0057
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

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

7380-0057

Molecular Formula

C21H19N3O4S2 (C21 H19 N3 O4 S2)

Compound Name

N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)propanamide

IUPAC name

N-[4-(34-dimethoxyphenyl)-13-thiazol-2-yl]-3-(2-oxo-23-dihydro-13-benzothiazol-3-yl)propanamide

SMILES

COc(ccc(-c1csc(NC(CCN(c(cccc2)c2S2)C2=O)=O)n1)c1)c1OC

InChI

InChI=1S/C21H19N3O4S2/c1-27-16-8-7-13(11-17(16)28-2)14-12-29-20(22-14)23-19(25)9-10-24-15-5-3-4-6-18(15)30-21(24)26/h3-8,11-12H,9-10H2,1-2H3,(H,22,23,25)

InChI Key

GFBPNHLAAKSNTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06760425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.218

Distribution Coefficient, logD

4.218

Water Solubility, LogSw

-4.25

Polar Surface Area

63.975

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

7380-0057 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7380-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7380-0057?
Check Price and Availability of 7380-0057, 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 7380-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7380-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7380-0057
  • 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 7380-0057 available by request