8561-07750 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

8561-07750 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine
8561-07750 Screening compound: N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8561-07750
N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

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

8561-07750

Molecular Formula

C20H23N5O2S (C20 H23 N5 O2 S)

Compound Name

N-{5-[2-(3,4-dimethoxyphenyl)ethyl]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}-1,3-benzothiazol-2-amine

IUPAC name

N-{5-[2-(34-dimethoxyphenyl)ethyl]-1456-tetrahydro-135-triazin-2-yl}-13-benzothiazol-2-amine

SMILES

COc(ccc(CCN1CN=C(Nc2nc(cccc3)c3s2)NC1)c1)c1OC

InChI

InChI=1S/C20H23N5O2S/c1-26-16-8-7-14(11-17(16)27-2)9-10-25-12-21-19(22-13-25)24-20-23-15-5-3-4-6-18(15)28-20/h3-8,11H,9-10,12-13H2,1-2H3,(H2,21,22,23,24)

InChI Key

WZODKJJGULXAGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07181393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

-1.556

Water Solubility, LogSw

-4.00

Polar Surface Area

58.045

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

12.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8561-07750 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8561-07750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8561-07750?
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What is the minimum amount of 8561-07750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8561-07750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8561-07750
  • 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 8561-07750 available by request