C071-0460 Screening compound: N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

C071-0460 Screening compound: N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide
C071-0460 Screening compound: N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0460
N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]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

C071-0460

Molecular Formula

C28H27ClF3N5O4S (C28 H27 ClF3 N5 O4 S)

Compound Name

N-{1-[(4-chlorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

IUPAC name

N-{1-[(4-chlorophenyl)methyl]-35-dimethyl-1H-pyrazol-4-yl}-4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}butanamide

SMILES

Cc(n(Cc(cc1)ccc1Cl)nc1C)c1NC(CCCS(c1nc(-c(cccc2)c2OC)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C28H27ClF3N5O4S/c1-17-26(18(2)37(36-17)16-19-10-12-20(29)13-11-19)35-25(38)9-6-14-42(39,40)27-33-22(15-24(34-27)28(30,31)32)21-7-4-5-8-23(21)41-3/h4-5,7-8,10-13,15H,6,9,14,16H2,1-3H3,(H,35,38)

InChI Key

MASDLLYZWFSTAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

622.07

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.836

Distribution Coefficient, logD

3.836

Water Solubility, LogSw

-4.46

Polar Surface Area

90.518

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C071-0460 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C071-0460 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0460?
Check Price and Availability of C071-0460, 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 C071-0460 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0460
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0460
  • 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 C071-0460 available by request