F782-1871 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide

F782-1871 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide
F782-1871 Screening compound: N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F782-1871
N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-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

F782-1871

Molecular Formula

C21H29N5O4S2 (C21 H29 N5 O4 S2)

Compound Name

N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide

IUPAC name

N-[2-(2-methylpropanamido)-13-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide

SMILES

CC(C)C(Nc1nc(cc(cc2)NC(C(CC3)CCN3S(N3CCCC3)(=O)=O)=O)c2s1)=O

InChI

InChI=1S/C21H29N5O4S2/c1-14(2)19(27)24-21-23-17-13-16(5-6-18(17)31-21)22-20(28)15-7-11-26(12-8-15)32(29,30)25-9-3-4-10-25/h5-6,13-15H,3-4,7-12H2,1-2H3,(H,22,28)(H,23,24,27)

InChI Key

HYPHHJSPSRLCHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14966619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-3.38

Polar Surface Area

90.937

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

F782-1871 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F782-1871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F782-1871?
Check Price and Availability of F782-1871, 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 F782-1871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F782-1871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F782-1871
  • 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 F782-1871 available by request