C906-0090 Screening compound: N-cyclohexyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide

C906-0090 Screening compound: N-cyclohexyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide
C906-0090 Screening compound: N-cyclohexyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C906-0090
N-cyclohexyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide

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

C906-0090

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

N-cyclohexyl-4-({[3,4-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide

IUPAC name

N-cyclohexyl-4-({[34-dioxo-2-(pyrrolidin-1-yl)cyclobut-1-en-1-yl]amino}methyl)-N-methylbenzamide

SMILES

CN(C1CCCCC1)C(c1ccc(CNC(C(C2=O)=O)=C2N2CCCC2)cc1)=O

InChI

InChI=1S/C23H29N3O3/c1-25(18-7-3-2-4-8-18)23(29)17-11-9-16(10-12-17)15-24-19-20(22(28)21(19)27)26-13-5-6-14-26/h9-12,18,24H,2-8,13-15H2,1H3

InChI Key

DIDAKOWZAWGVTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14807299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.818

Water Solubility, LogSw

-3.20

Polar Surface Area

56.427

Acid Dissociation Constant (pKa)

9.30

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C906-0090 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C906-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C906-0090?
Check Price and Availability of C906-0090, 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 C906-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C906-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C906-0090
  • 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 C906-0090 available by request