F782-1892 Screening compound: 3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide

F782-1892 Screening compound: 3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide
F782-1892 Screening compound: 3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-1892
3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide

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

F782-1892

Molecular Formula

C23H23N5O2S (C23 H23 N5 O2 S)

Compound Name

3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide

IUPAC name

3-(4-ethylphenyl)-N-[2-(2-methylpropanamido)-13-benzothiazol-5-yl]-1H-pyrazole-5-carboxamide

SMILES

CCc(cc1)ccc1-c1n[nH]c(C(Nc(cc2)cc3c2sc(NC(C(C)C)=O)n3)=O)c1

InChI

InChI=1S/C23H23N5O2S/c1-4-14-5-7-15(8-6-14)17-12-19(28-27-17)22(30)24-16-9-10-20-18(11-16)25-23(31-20)26-21(29)13(2)3/h5-13H,4H2,1-3H3,(H,24,30)(H,27,28)(H,25,26,29)

InChI Key

BMWCFLBLLZHOBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.042

Distribution Coefficient, logD

6.041

Water Solubility, LogSw

-5.42

Polar Surface Area

78.944

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

F782-1892 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 F782-1892 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-1892?
Check Price and Availability of F782-1892, 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 F782-1892 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-1892
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-1892
  • 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 F782-1892 available by request