D277-1803 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide

D277-1803 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
D277-1803 Screening compound: 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1803
2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)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

D277-1803

Molecular Formula

C17H25N3OS (C17 H25 N3 OS)

Compound Name

2-(1H-1,3-benzodiazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide

IUPAC name

2-(1H-13-benzodiazol-2-ylsulfanyl)-NN-bis(2-methylpropyl)acetamide

SMILES

CC(C)CN(CC(C)C)C(CSc1nc(cccc2)c2[nH]1)=O

InChI

InChI=1S/C17H25N3OS/c1-12(2)9-20(10-13(3)4)16(21)11-22-17-18-14-7-5-6-8-15(14)19-17/h5-8,12-13H,9-11H2,1-4H3,(H,18,19)

InChI Key

WAHJFTISGHBESO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01032980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-3.92

Polar Surface Area

34.207

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.90

D277-1803 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with D277-1803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1803?
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What is the minimum amount of D277-1803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1803
  • 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 D277-1803 available by request