Y020-0115 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol

Y020-0115 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol
Y020-0115 Screening compound: 2-[(1,3-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0115
2-[(1,3-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol

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

Y020-0115

Molecular Formula

C13H12N4O2S (C13 H12 N4 O2 S)

Compound Name

2-[(1,3-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol

IUPAC name

2-[(13-benzothiazol-2-yl)amino]-6-(methoxymethyl)pyrimidin-4-ol

SMILES

COCc1nc(Nc2nc(cccc3)c3s2)nc(O)c1

InChI

InChI=1S/C13H12N4O2S/c1-19-7-8-6-11(18)16-12(14-8)17-13-15-9-4-2-3-5-10(9)20-13/h2-6H,7H2,1H3,(H2,14,15,16,17,18)

InChI Key

KYFLDHKXVLSCKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02234515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

2.200

Water Solubility, LogSw

-3.29

Polar Surface Area

64.796

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

4.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

Y020-0115 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0115?
Check Price and Availability of Y020-0115, 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 Y020-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0115
  • 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 Y020-0115 available by request