D277-1448 Screening compound: N-methyl-N-({1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

D277-1448 Screening compound: N-methyl-N-({1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide
D277-1448 Screening compound: N-methyl-N-({1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1448
N-methyl-N-({1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)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

D277-1448

Molecular Formula

C22H27N3O (C22 H27 N3 O)

Compound Name

N-methyl-N-({1-[(2,3,5,6-tetramethylphenyl)methyl]-1H-1,3-benzodiazol-2-yl}methyl)acetamide

IUPAC name

N-methyl-N-({1-[(2356-tetramethylphenyl)methyl]-1H-13-benzodiazol-2-yl}methyl)acetamide

SMILES

CC(N(C)Cc1nc(cccc2)c2n1Cc1c(C)c(C)cc(C)c1C)=O

InChI

InChI=1S/C22H27N3O/c1-14-11-15(2)17(4)19(16(14)3)12-25-21-10-8-7-9-20(21)23-22(25)13-24(6)18(5)26/h7-11H,12-13H2,1-6H3

InChI Key

IKVKHOLFZVBXCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.847

Distribution Coefficient, logD

4.844

Water Solubility, LogSw

-4.69

Polar Surface Area

28.033

Acid Dissociation Constant (pKa)

21.87

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D277-1448 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D277-1448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1448?
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What is the minimum amount of D277-1448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1448
  • 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 D277-1448 available by request