8016-6953 Screening compound: N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-N'-(3-methoxybenzoyl)urea

8016-6953 Screening compound: N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-N'-(3-methoxybenzoyl)urea
8016-6953 Screening compound: N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-N'-(3-methoxybenzoyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-6953
N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-N'-(3-methoxybenzoyl)urea

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

8016-6953

Molecular Formula

C20H14F6N4O3 (C20 H14 F6 N4 O3)

Compound Name

N-{4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-N'-(3-methoxybenzoyl)urea

IUPAC name

3-{4-[35-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl}-1-(3-methoxybenzoyl)urea

SMILES

COc1cccc(C(NC(Nc(cc2)ccc2-n2nc(C(F)(F)F)cc2C(F)(F)F)=O)=O)c1

InChI

InChI=1S/C20H14F6N4O3/c1-33-14-4-2-3-11(9-14)17(31)28-18(32)27-12-5-7-13(8-6-12)30-16(20(24,25)26)10-15(29-30)19(21,22)23/h2-10H,1H3,(H2,27,28,31,32)

InChI Key

LAQSLGBTMIGDFE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05858404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.534

Distribution Coefficient, logD

4.532

Water Solubility, LogSw

-4.48

Polar Surface Area

67.359

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8016-6953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-6953?
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What is the minimum amount of 8016-6953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-6953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-6953
  • 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 8016-6953 available by request