8012-2255 Screening compound: 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea

8012-2255 Screening compound: 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea
8012-2255 Screening compound: 3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2255
3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea

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

8012-2255

Molecular Formula

C19H20ClN3OS (C19 H20 ClN3 OS)

Compound Name

3-(3-chlorophenyl)-1-(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-1-(2-phenylethyl)urea

IUPAC name

3-(3-chlorophenyl)-1-(5-methyl-45-dihydro-13-thiazol-2-yl)-1-(2-phenylethyl)urea

SMILES

CC1SC(N(CCc2ccccc2)C(Nc2cccc(Cl)c2)=O)=NC1

InChI

InChI=1S/C19H20ClN3OS/c1-14-13-21-19(25-14)23(11-10-15-6-3-2-4-7-15)18(24)22-17-9-5-8-16(20)12-17/h2-9,12,14H,10-11,13H2,1H3,(H,22,24)/t14-/m1/s1

InChI Key

NKDGCNRHUXDIMR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00789376

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.500

Distribution Coefficient, logD

5.480

Water Solubility, LogSw

-5.72

Polar Surface Area

33.197

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8012-2255 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 8012-2255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2255?
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What is the minimum amount of 8012-2255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2255
  • 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 8012-2255 available by request