8013-0146 Screening compound: 1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

8013-0146 Screening compound: 1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
8013-0146 Screening compound: 1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0146
1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

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

8013-0146

Molecular Formula

C21H23N5O3S (C21 H23 N5 O3 S)

Compound Name

1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(4-methoxyphenyl)-3-{[(3Z)-1-[(morpholin-4-yl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

COc(cc1)ccc1NC(N/N=C(/c(cccc1)c1N1CN2CCOCC2)\C1=O)=S

InChI

InChI=1S/C21H23N5O3S/c1-28-16-8-6-15(7-9-16)22-21(30)24-23-19-17-4-2-3-5-18(17)26(20(19)27)14-25-10-12-29-13-11-25/h2-9H,10-14H2,1H3,(H2,22,24,30)

InChI Key

IPEALRQWVZVBPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03195708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.066

Water Solubility, LogSw

-3.75

Polar Surface Area

66.199

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

8013-0146 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8013-0146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0146?
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What is the minimum amount of 8013-0146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0146
  • 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 8013-0146 available by request