6359-0007 Screening compound: 1-(3,4-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea

6359-0007 Screening compound: 1-(3,4-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea
6359-0007 Screening compound: 1-(3,4-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 6359-0007
1-(3,4-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]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

6359-0007

Molecular Formula

C20H22N6OS (C20 H22 N6 OS)

Compound Name

1-(3,4-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea

IUPAC name

1-(34-dimethylphenyl)-3-[N-(6-methoxy-4-methylquinazolin-2-yl)carbamimidoyl]thiourea

SMILES

Cc(cc1)c(C)cc1NC(NC(Nc(nc(C)c1c2)nc1ccc2OC)=N)=S

InChI

InChI=1S/C20H22N6OS/c1-11-5-6-14(9-12(11)2)23-20(28)26-18(21)25-19-22-13(3)16-10-15(27-4)7-8-17(16)24-19/h5-10H,1-4H3,(H4,21,22,23,24,25,26,28)

InChI Key

OFWHZKWSCCYPHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03871794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.943

Distribution Coefficient, logD

1.864

Water Solubility, LogSw

-4.77

Polar Surface Area

74.296

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6359-0007 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6359-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6359-0007?
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What is the minimum amount of 6359-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6359-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6359-0007
  • 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 6359-0007 available by request