D421-1822 Screening compound: 2-chlorophenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate

D421-1822 Screening compound: 2-chlorophenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate
D421-1822 Screening compound: 2-chlorophenyl 2-({5-[(phenylformamido)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D421-1822
2-chlorophenyl 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

D421-1822

Molecular Formula

C18H14ClN3O4S (C18 H14 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nnc(CNC(c2ccccc2)=O)o1)Oc(cccc1)c1Cl

InChI

InChI=1S/C18H14ClN3O4S/c19-13-8-4-5-9-14(13)25-16(23)11-27-18-22-21-15(26-18)10-20-17(24)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,20,24)

InChI Key

WDSRJMUUVPHXCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828121

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.85

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

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.58

Polar Surface Area

74.556

Acid Dissociation Constant (pKa)

12.40

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

D421-1822 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D421-1822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D421-1822?
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What is the minimum amount of D421-1822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D421-1822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D421-1822
  • 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 D421-1822 available by request