4011-0753 Screening compound: (6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4011-0753 Screening compound: (6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4011-0753 Screening compound: (6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4011-0753
(6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

4011-0753

Molecular Formula

C30H25N5O4S (C30 H25 N5 O4 S)

Compound Name

(6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-({1-[2-(3-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-(phenoxymethyl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

COc1cccc(OCCn2c(cccc3)c3c(/C=C(/C(N3N=C(COc4ccccc4)SC3=N3)=N)\C3=O)c2)c1

InChI

InChI=1S/C30H25N5O4S/c1-37-22-10-7-11-23(17-22)38-15-14-34-18-20(24-12-5-6-13-26(24)34)16-25-28(31)35-30(32-29(25)36)40-27(33-35)19-39-21-8-3-2-4-9-21/h2-13,16-18,31H,14-15,19H2,1H3

InChI Key

IUXXJHFTPONCLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03183196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.63

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

4.884

Distribution Coefficient, logD

3.811

Water Solubility, LogSw

-4.70

Polar Surface Area

78.822

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

8.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4011-0753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4011-0753?
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What is the minimum amount of 4011-0753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4011-0753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4011-0753
  • 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 4011-0753 available by request