6013-1712 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl N-(3-chlorophenyl)carbamate

6013-1712 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl N-(3-chlorophenyl)carbamate
6013-1712 Screening compound: (2H-1,3-benzodioxol-5-yl)methyl N-(3-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6013-1712
(2H-1,3-benzodioxol-5-yl)methyl N-(3-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

6013-1712

Molecular Formula

C15H12ClNO4 (C15 H12 ClNO4)

Compound Name

(2H-1,3-benzodioxol-5-yl)methyl N-(3-chlorophenyl)carbamate

IUPAC name

(2H-13-benzodioxol-5-yl)methyl N-(3-chlorophenyl)carbamate

SMILES

O=C(Nc1cccc(Cl)c1)OCc(cc1)cc2c1OCO2

InChI

InChI=1S/C15H12ClNO4/c16-11-2-1-3-12(7-11)17-15(18)19-8-10-4-5-13-14(6-10)21-9-20-13/h1-7H,8-9H2,(H,17,18)

InChI Key

IKKXBSYOWIROCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00022960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.72

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

4.434

Water Solubility, LogSw

-4.47

Polar Surface Area

48.902

Acid Dissociation Constant (pKa)

10.26

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6013-1712 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 6013-1712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6013-1712?
Check Price and Availability of 6013-1712, 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 6013-1712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6013-1712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6013-1712
  • 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 6013-1712 available by request