D186-0061 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-N,N-bis(propan-2-yl)acetamide

D186-0061 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-N,N-bis(propan-2-yl)acetamide
D186-0061 Screening compound: 2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-N,N-bis(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D186-0061
2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-N,N-bis(propan-2-yl)acetamide

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

D186-0061

Molecular Formula

C18H27N3O2 (C18 H27 N3 O2)

Compound Name

2-[2-(1-hydroxypropyl)-1H-1,3-benzodiazol-1-yl]-N,N-bis(propan-2-yl)acetamide

IUPAC name

2-[2-(1-hydroxypropyl)-1H-13-benzodiazol-1-yl]-NN-bis(propan-2-yl)acetamide

SMILES

CCC(c1nc(cccc2)c2n1CC(N(C(C)C)C(C)C)=O)O

InChI

InChI=1S/C18H27N3O2/c1-6-16(22)18-19-14-9-7-8-10-15(14)20(18)11-17(23)21(12(2)3)13(4)5/h7-10,12-13,16,22H,6,11H2,1-5H3/t16-/m0/s1

InChI Key

JGYWMVVQCYWTNT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08144008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.763

Water Solubility, LogSw

-2.95

Polar Surface Area

42.141

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

D186-0061 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D186-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D186-0061?
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What is the minimum amount of D186-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D186-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D186-0061
  • 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 D186-0061 available by request