8012-9091 Screening compound: N-[(2-chlorophenyl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine

8012-9091 Screening compound: N-[(2-chlorophenyl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine
8012-9091 Screening compound: N-[(2-chlorophenyl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9091
N-[(2-chlorophenyl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine

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

8012-9091

Molecular Formula

C18H16ClN3O (C18 H16 ClN3 O)

Compound Name

N-[(2-chlorophenyl)methoxy]-2,4-dimethyl-3H-1,5-benzodiazepin-3-imine

IUPAC name

N-[(2-chlorophenyl)methoxy]-24-dimethyl-3H-15-benzodiazepin-3-imine

SMILES

CC1=Nc(cccc2)c2N=C(C)C1=NOCc(cccc1)c1Cl

InChI

InChI=1S/C18H16ClN3O/c1-12-18(22-23-11-14-7-3-4-8-15(14)19)13(2)21-17-10-6-5-9-16(17)20-12/h3-10H,11H2,1-2H3

InChI Key

VPQDBVGLUJHSQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.479

Distribution Coefficient, logD

4.479

Water Solubility, LogSw

-4.38

Polar Surface Area

33.260

Acid Dissociation Constant (pKa)

25.83

Base Dissociation Constant (pKb)

2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8012-9091 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-9091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9091?
Check Price and Availability of 8012-9091, 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 8012-9091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9091
  • 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 8012-9091 available by request