7790-1708 Screening compound: ethyl 2-{2-[(1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl}acetate

7790-1708 Screening compound: ethyl 2-{2-[(1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl}acetate
7790-1708 Screening compound: ethyl 2-{2-[(1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7790-1708
ethyl 2-{2-[(1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl}acetate

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

7790-1708

Molecular Formula

C20H17N3O2S2 (C20 H17 N3 O2 S2)

Compound Name

ethyl 2-{2-[(1,3-benzothiazol-2-yl)amino]-4-phenyl-1,3-thiazol-5-yl}acetate

IUPAC name

ethyl 2-{2-[(13-benzothiazol-2-yl)amino]-4-phenyl-13-thiazol-5-yl}acetate

SMILES

CCOC(Cc1c(-c2ccccc2)nc(Nc2nc(cccc3)c3s2)s1)=O

InChI

InChI=1S/C20H17N3O2S2/c1-2-25-17(24)12-16-18(13-8-4-3-5-9-13)22-20(27-16)23-19-21-14-10-6-7-11-15(14)26-19/h3-11H,2,12H2,1H3,(H,21,22,23)

InChI Key

SJLXXPKXKKLAIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05833783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.994

Distribution Coefficient, logD

5.994

Water Solubility, LogSw

-5.57

Polar Surface Area

49.616

Acid Dissociation Constant (pKa)

16.16

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

7790-1708 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 7790-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7790-1708?
Check Price and Availability of 7790-1708, 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 7790-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7790-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7790-1708
  • 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 7790-1708 available by request