8017-1610 Screening compound: [4-amino-2-(benzylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

8017-1610 Screening compound: [4-amino-2-(benzylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone
8017-1610 Screening compound: [4-amino-2-(benzylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-1610
[4-amino-2-(benzylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

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

8017-1610

Molecular Formula

C18H17N3O2S (C18 H17 N3 O2 S)

Compound Name

[4-amino-2-(benzylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

IUPAC name

N2-benzyl-5-(4-methoxybenzoyl)-13-thiazole-24-diamine

SMILES

COc(cc1)ccc1C(c1c(N)nc(NCc2ccccc2)s1)=O

InChI

InChI=1S/C18H17N3O2S/c1-23-14-9-7-13(8-10-14)15(22)16-17(19)21-18(24-16)20-11-12-5-3-2-4-6-12/h2-10H,11,19H2,1H3,(H,20,21)

InChI Key

OHEGXUHFWYNOGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06014557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.22

Polar Surface Area

62.227

Acid Dissociation Constant (pKa)

17.17

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8017-1610 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8017-1610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-1610?
Check Price and Availability of 8017-1610, 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 8017-1610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-1610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-1610
  • 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 8017-1610 available by request