D400-3121 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

D400-3121 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
D400-3121 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D400-3121
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

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

D400-3121

Molecular Formula

C20H17N5O4S (C20 H17 N5 O4 S)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]benzamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-2-[(3-phenyl-124-oxadiazol-5-yl)methoxy]benzamide

SMILES

COCc1nnc(NC(c(cccc2)c2OCc2nc(-c3ccccc3)no2)=O)s1

InChI

InChI=1S/C20H17N5O4S/c1-27-12-17-23-24-20(30-17)22-19(26)14-9-5-6-10-15(14)28-11-16-21-18(25-29-16)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3,(H,22,24,26)

InChI Key

DGZLXSWXXYFWAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14827352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.661

Distribution Coefficient, logD

1.955

Water Solubility, LogSw

-4.01

Polar Surface Area

94.451

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D400-3121 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anticancer Library (62698 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer

References: we are preparing a list of scientific research reports with D400-3121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D400-3121?
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What is the minimum amount of D400-3121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D400-3121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D400-3121
  • 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 D400-3121 available by request