D186-0252 Screening compound: 4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

D186-0252 Screening compound: 4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide
D186-0252 Screening compound: 4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0252
4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

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

D186-0252

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-1,3-benzodiazol-2-yl]ethyl}butanamide

IUPAC name

4-hydroxy-N-{2-[1-(3-methylbutyl)-1H-13-benzodiazol-2-yl]ethyl}butanamide

SMILES

CC(C)CCn1c(cccc2)c2nc1CCNC(CCCO)=O

InChI

InChI=1S/C18H27N3O2/c1-14(2)10-12-21-16-7-4-3-6-15(16)20-17(21)9-11-19-18(23)8-5-13-22/h3-4,6-7,14,22H,5,8-13H2,1-2H3,(H,19,23)

InChI Key

BRDLJLVBYJGGEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.818

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-1.99

Polar Surface Area

52.362

Acid Dissociation Constant (pKa)

14.52

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

D186-0252 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D186-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0252?
Check Price and Availability of D186-0252, 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 D186-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0252
  • 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 D186-0252 available by request