P701-0442 Screening compound: 2-[4-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

P701-0442 Screening compound: 2-[4-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide
P701-0442 Screening compound: 2-[4-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P701-0442
2-[4-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

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

P701-0442

Molecular Formula

C18H17F3N4OS (C18 H17 F3 N4 OS)

Compound Name

2-[4-(4-ethyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

IUPAC name

2-[4-(4-ethyl-13-thiazol-2-yl)-1H-imidazol-1-yl]-N-{[4-(trifluoromethyl)phenyl]methyl}acetamide

SMILES

CCc1csc(-c2cn(CC(NCc3ccc(C(F)(F)F)cc3)=O)cn2)n1

InChI

InChI=1S/C18H17F3N4OS/c1-2-14-10-27-17(24-14)15-8-25(11-23-15)9-16(26)22-7-12-3-5-13(6-4-12)18(19,20)21/h3-6,8,10-11H,2,7,9H2,1H3,(H,22,26)

InChI Key

LNBMBXUIRUMXJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27612660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.788

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-3.81

Polar Surface Area

47.002

Acid Dissociation Constant (pKa)

13.05

Base Dissociation Constant (pKb)

5.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P701-0442 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with P701-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P701-0442?
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What is the minimum amount of P701-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P701-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P701-0442
  • 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 P701-0442 available by request