0474-0110 Screening compound: (propan-2-ylidene)amino N-(4-chlorophenyl)carbamate

0474-0110 Screening compound: (propan-2-ylidene)amino N-(4-chlorophenyl)carbamate
0474-0110 Screening compound: (propan-2-ylidene)amino N-(4-chlorophenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0474-0110
(propan-2-ylidene)amino 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

0474-0110

Molecular Formula

C10H11ClN2O2 (C10 H11 ClN2 O2)

Compound Name

(propan-2-ylidene)amino N-(4-chlorophenyl)carbamate

IUPAC name

(propan-2-ylidene)amino N-(4-chlorophenyl)carbamate

SMILES

CC(C)=NOC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C10H11ClN2O2/c1-7(2)13-15-10(14)12-9-5-3-8(11)4-6-9/h3-6H,1-2H3,(H,12,14)

InChI Key

BPIZNAFVAYSYMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00018565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

226.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.025

Distribution Coefficient, logD

2.959

Water Solubility, LogSw

-3.57

Polar Surface Area

42.279

Acid Dissociation Constant (pKa)

8.18

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

0474-0110 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0474-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0474-0110?
Check Price and Availability of 0474-0110, 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 0474-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0474-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0474-0110
  • 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 0474-0110 available by request