3797-1194 Screening compound: (6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3797-1194 Screening compound: (6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3797-1194 Screening compound: (6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-1194
(6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-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

3797-1194

Molecular Formula

C26H27BrN4O5S (C26 H27 BrN4 O5 S)

Compound Name

(6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-5-imino-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc1cc(/C=C(/C(N2N=C(C(C)C)SC2=N2)=N)\C2=O)cc(Br)c1OCCOc1cc(OC)ccc1

InChI

InChI=1S/C26H27BrN4O5S/c1-5-34-21-13-16(11-19-23(28)31-26(29-24(19)32)37-25(30-31)15(2)3)12-20(27)22(21)36-10-9-35-18-8-6-7-17(14-18)33-4/h6-8,11-15,28H,5,9-10H2,1-4H3

InChI Key

WTXQPNRVXDLJCQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02119091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.018

Distribution Coefficient, logD

3.250

Water Solubility, LogSw

-4.57

Polar Surface Area

84.510

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 3797-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-1194?
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What is the minimum amount of 3797-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-1194
  • 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 3797-1194 available by request