D421-1810 Screening compound: 3-methylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

D421-1810 Screening compound: 3-methylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
D421-1810 Screening compound: 3-methylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D421-1810
3-methylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

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

D421-1810

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

3-methylphenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

IUPAC name

3-methylphenyl 2-({5-[(phenylformamido)methyl]-134-oxadiazol-2-yl}sulfanyl)acetate

SMILES

Cc1cccc(OC(CSc2nnc(CNC(c3ccccc3)=O)o2)=O)c1

InChI

InChI=1S/C19H17N3O4S/c1-13-6-5-9-15(10-13)25-17(23)12-27-19-22-21-16(26-19)11-20-18(24)14-7-3-2-4-8-14/h2-10H,11-12H2,1H3,(H,20,24)

InChI Key

HCJMOJZOWZMGOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.722

Distribution Coefficient, logD

2.722

Water Solubility, LogSw

-3.19

Polar Surface Area

74.469

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D421-1810 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D421-1810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D421-1810?
Check Price and Availability of D421-1810, 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 D421-1810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D421-1810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D421-1810
  • 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 D421-1810 available by request