8015-3732 Screening compound: N-(2,5-dichloro-4-{[(3,5-dimethylanilino)carbothioyl]amino}phenyl)-N'-(3,5-dimethylphenyl)thiourea

8015-3732 Screening compound: N-(2,5-dichloro-4-{[(3,5-dimethylanilino)carbothioyl]amino}phenyl)-N'-(3,5-dimethylphenyl)thiourea
8015-3732 Screening compound: N-(2,5-dichloro-4-{[(3,5-dimethylanilino)carbothioyl]amino}phenyl)-N'-(3,5-dimethylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3732
N-(2,5-dichloro-4-{[(3,5-dimethylanilino)carbothioyl]amino}phenyl)-N'-(3,5-dimethylphenyl)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

8015-3732

Molecular Formula

C24H24Cl2N4S2 (C24 H24 Cl2 N4 S2)

Compound Name

N-(2,5-dichloro-4-{[(3,5-dimethylanilino)carbothioyl]amino}phenyl)-N'-(3,5-dimethylphenyl)thiourea

IUPAC name

3-(25-dichloro-4-{[(35-dimethylphenyl)carbamothioyl]amino}phenyl)-1-(35-dimethylphenyl)thiourea

SMILES

Cc1cc(NC(Nc(c(Cl)c2)cc(Cl)c2NC(Nc2cc(C)cc(C)c2)=S)=S)cc(C)c1

InChI

InChI=1S/C24H24Cl2N4S2/c1-13-5-14(2)8-17(7-13)27-23(31)29-21-11-20(26)22(12-19(21)25)30-24(32)28-18-9-15(3)6-16(4)10-18/h5-12H,1-4H3,(H2,27,29,31)(H2,28,30,32)

InChI Key

XYLBEDOUGRMPIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03760501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.477

Distribution Coefficient, logD

8.477

Water Solubility, LogSw

-7.01

Polar Surface Area

36.488

Acid Dissociation Constant (pKa)

12.21

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8015-3732 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3732?
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What is the minimum amount of 8015-3732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3732
  • 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 8015-3732 available by request