5989-3578 Screening compound: 1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)carbamate

5989-3578 Screening compound: 1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)carbamate
5989-3578 Screening compound: 1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3578
1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)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

5989-3578

Molecular Formula

C18H19ClN2O4 (C18 H19 ClN2 O4)

Compound Name

1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)carbamate

IUPAC name

1-{[(3-methylphenoxy)carbonyl]amino}propan-2-yl N-(4-chlorophenyl)carbamate

SMILES

CC(CNC(Oc1cc(C)ccc1)=O)OC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C18H19ClN2O4/c1-12-4-3-5-16(10-12)25-17(22)20-11-13(2)24-18(23)21-15-8-6-14(19)7-9-15/h3-10,13H,11H2,1-2H3,(H,20,22)(H,21,23)/t13-/m0/s1

InChI Key

RXAVHYFBSSGPDY-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00485453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.81

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

4.572

Distribution Coefficient, logD

4.571

Water Solubility, LogSw

-4.66

Polar Surface Area

63.634

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

5989-3578 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 5989-3578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3578?
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What is the minimum amount of 5989-3578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3578
  • 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 5989-3578 available by request