Y200-6909 Screening compound: 1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane

Y200-6909 Screening compound: 1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane
Y200-6909 Screening compound: 1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-6909
1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane

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

Y200-6909

Molecular Formula

C27H36N2O2 (C27 H36 N2 O2)

Compound Name

1,4-bis(4-tert-butylbenzoyl)-1,4-diazepane

IUPAC name

14-bis(4-tert-butylbenzoyl)-14-diazepane

SMILES

CC(C)(C)c(cc1)ccc1C(N(CCC1)CCN1C(c1ccc(C(C)(C)C)cc1)=O)=O

InChI

InChI=1S/C27H36N2O2/c1-26(2,3)22-12-8-20(9-13-22)24(30)28-16-7-17-29(19-18-28)25(31)21-10-14-23(15-11-21)27(4,5)6/h8-15H,7,16-19H2,1-6H3

InChI Key

MXQQGFJGIADEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03402402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.750

Distribution Coefficient, logD

5.750

Water Solubility, LogSw

-5.44

Polar Surface Area

33.674

Acid Dissociation Constant (pKa)

27.65

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

Y200-6909 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with Y200-6909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-6909?
Check Price and Availability of Y200-6909, 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 Y200-6909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-6909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-6909
  • 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 Y200-6909 available by request