D277-1896 Screening compound: propan-2-yl 4-(5-methyl-1H-1,3-benzodiazol-2-yl)butanoate

D277-1896 Screening compound: propan-2-yl 4-(5-methyl-1H-1,3-benzodiazol-2-yl)butanoate
D277-1896 Screening compound: propan-2-yl 4-(5-methyl-1H-1,3-benzodiazol-2-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-1896
propan-2-yl 4-(5-methyl-1H-1,3-benzodiazol-2-yl)butanoate

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

D277-1896

Molecular Formula

C15H20N2O2 (C15 H20 N2 O2)

Compound Name

propan-2-yl 4-(5-methyl-1H-1,3-benzodiazol-2-yl)butanoate

IUPAC name

propan-2-yl 4-(5-methyl-1H-13-benzodiazol-2-yl)butanoate

SMILES

CC(C)OC(CCCc1nc(cc(C)cc2)c2[nH]1)=O

InChI

InChI=1S/C15H20N2O2/c1-10(2)19-15(18)6-4-5-14-16-12-8-7-11(3)9-13(12)17-14/h7-10H,4-6H2,1-3H3,(H,16,17)

InChI Key

JZWOYYWFSAQIER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

3.341

Water Solubility, LogSw

-3.49

Polar Surface Area

40.358

Acid Dissociation Constant (pKa)

12.82

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

D277-1896 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D277-1896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-1896?
Check Price and Availability of D277-1896, 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 D277-1896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-1896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-1896
  • 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 D277-1896 available by request