3456-0997 Screening compound: (E)-1-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide

3456-0997 Screening compound: (E)-1-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide
3456-0997 Screening compound: (E)-1-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3456-0997
(E)-1-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide

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

3456-0997

Molecular Formula

C22H25N3O4S (C22 H25 N3 O4 S)

Compound Name

(E)-1-{[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide

IUPAC name

(E)-1-{[25-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]sulfanyl}-N'-(2-methoxyphenyl)-N-methylmethanimidamide

SMILES

CCCOc(cc1)ccc1N(C(CC1S/C(/NC)=N/c(cccc2)c2OC)=O)C1=O

InChI

InChI=1S/C22H25N3O4S/c1-4-13-29-16-11-9-15(10-12-16)25-20(26)14-19(21(25)27)30-22(23-2)24-17-7-5-6-8-18(17)28-3/h5-12,19H,4,13-14H2,1-3H3,(H,23,24)/t19-/m0/s1

InChI Key

RFXRZGXKSNHBQV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01908073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.052

Distribution Coefficient, logD

3.049

Water Solubility, LogSw

-3.45

Polar Surface Area

62.540

Acid Dissociation Constant (pKa)

16.55

Base Dissociation Constant (pKb)

5.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 3456-0997 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3456-0997?
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What is the minimum amount of 3456-0997 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3456-0997
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3456-0997
  • 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 3456-0997 available by request