C683-0452 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-12-oxa-1,3-diazatetraphen-4-yl]sulfanyl}-N,N-diethylacetamide

C683-0452 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-12-oxa-1,3-diazatetraphen-4-yl]sulfanyl}-N,N-diethylacetamide
C683-0452 Screening compound: 2-{[2-(4-ethoxyphenyl)-5H-12-oxa-1,3-diazatetraphen-4-yl]sulfanyl}-N,N-diethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C683-0452
2-{[2-(4-ethoxyphenyl)-5H-12-oxa-1,3-diazatetraphen-4-yl]sulfanyl}-N,N-diethylacetamide

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

C683-0452

Molecular Formula

C29H29N3O3S (C29 H29 N3 O3 S)

Compound Name

2-{[2-(4-ethoxyphenyl)-5H-12-oxa-1,3-diazatetraphen-4-yl]sulfanyl}-N,N-diethylacetamide

IUPAC name

2-{[2-(4-ethoxyphenyl)-5H-12-oxa-13-diazatetraphen-4-yl]sulfanyl}-NN-diethylacetamide

SMILES

CCN(CC)C(CSc1nc(-c(cc2)ccc2OCC)nc2c1Cc(c1ccccc1cc1)c1O2)=O

InChI

InChI=1S/C29H29N3O3S/c1-4-32(5-2)26(33)18-36-29-24-17-23-22-10-8-7-9-19(22)13-16-25(23)35-28(24)30-27(31-29)20-11-14-21(15-12-20)34-6-3/h7-16H,4-6,17-18H2,1-3H3

InChI Key

YGOVXJAABILABK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744013

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.127

Distribution Coefficient, logD

7.109

Water Solubility, LogSw

-6.72

Polar Surface Area

48.659

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with C683-0452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C683-0452?
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What is the minimum amount of C683-0452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C683-0452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C683-0452
  • 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 C683-0452 available by request