8020-5931 Screening compound: [4-amino-2-(methylamino)-1,3-thiazol-5-yl](3,4,5-trimethoxyphenyl)methanone

8020-5931 Screening compound: [4-amino-2-(methylamino)-1,3-thiazol-5-yl](3,4,5-trimethoxyphenyl)methanone
8020-5931 Screening compound: [4-amino-2-(methylamino)-1,3-thiazol-5-yl](3,4,5-trimethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-5931
[4-amino-2-(methylamino)-1,3-thiazol-5-yl](3,4,5-trimethoxyphenyl)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

8020-5931

Molecular Formula

C14H17N3O4S (C14 H17 N3 O4 S)

Compound Name

[4-amino-2-(methylamino)-1,3-thiazol-5-yl](3,4,5-trimethoxyphenyl)methanone

IUPAC name

N2-methyl-5-(345-trimethoxybenzoyl)-13-thiazole-24-diamine

SMILES

CNc1nc(N)c(C(c(cc2OC)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C14H17N3O4S/c1-16-14-17-13(15)12(22-14)10(18)7-5-8(19-2)11(21-4)9(6-7)20-3/h5-6H,15H2,1-4H3,(H,16,17)

InChI Key

FFWMQCDEYIWMRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26098166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.842

Distribution Coefficient, logD

1.842

Water Solubility, LogSw

-2.40

Polar Surface Area

78.083

Acid Dissociation Constant (pKa)

19.30

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8020-5931 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8020-5931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-5931?
Check Price and Availability of 8020-5931, 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 8020-5931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-5931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-5931
  • 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 8020-5931 available by request