1611-0443 Screening compound: propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate

1611-0443 Screening compound: propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate
1611-0443 Screening compound: propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-0443
propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate

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

1611-0443

Molecular Formula

C15H19F3N2O4 (C15 H19 F3 N2 O4)

Compound Name

propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate

IUPAC name

propan-2-yl N-(4-{[(propan-2-yloxy)carbonyl]amino}-3-(trifluoromethyl)phenyl)carbamate

SMILES

CC(C)OC(Nc(cc1)cc(C(F)(F)F)c1NC(OC(C)C)=O)=O

InChI

InChI=1S/C15H19F3N2O4/c1-8(2)23-13(21)19-10-5-6-12(11(7-10)15(16,17)18)20-14(22)24-9(3)4/h5-9H,1-4H3,(H,19,21)(H,20,22)

InChI Key

ICLGDDYHKLISMD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00546698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.32

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

4.558

Water Solubility, LogSw

-4.37

Polar Surface Area

61.786

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

1611-0443 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1611-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-0443?
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What is the minimum amount of 1611-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-0443
  • 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 1611-0443 available by request