C071-0598 Screening compound: N-CYCLOHEXYL-4-{[4-(2-THIENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFONYL}BUTANAMIDE

C071-0598 Screening compound: N-CYCLOHEXYL-4-{[4-(2-THIENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFONYL}BUTANAMIDE
C071-0598 Screening compound: N-CYCLOHEXYL-4-{[4-(2-THIENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFONYL}BUTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0598
N-CYCLOHEXYL-4-{[4-(2-THIENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFONYL}BUTANAMIDE

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

C071-0598

Molecular Formula

C19H22F3N3O3S2 (C19 H22 F3 N3 O3 S2)

Compound Name

N-CYCLOHEXYL-4-{[4-(2-THIENYL)-6-(TRIFLUOROMETHYL)-2-PYRIMIDINYL]SULFONYL}BUTANAMIDE

IUPAC name

n/a

SMILES

O=C(CCCS(c1nc(-c2cccs2)cc(C(F)(F)F)n1)(=O)=O)NC1CCCCC1

InChI

InChI=1S/C19H22F3N3O3S2/c20-19(21,22)16-12-14(15-8-4-10-29-15)24-18(25-16)30(27,28)11-5-9-17(26)23-13-6-2-1-3-7-13/h4,8,10,12-13H,1-3,5-7,9,11H2,(H,23,26)

InChI Key

VLQOYTINPGCCQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14716555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.768

Distribution Coefficient, logD

3.768

Water Solubility, LogSw

-3.94

Polar Surface Area

72.068

Acid Dissociation Constant (pKa)

14.67

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.00

C071-0598 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C071-0598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0598?
Check Price and Availability of C071-0598, 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 C071-0598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0598
  • 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 C071-0598 available by request