4514-1903 Screening compound: 1-(4-chlorophenyl)-3-(3-hydroxypropyl)thiourea

4514-1903 Screening compound: 1-(4-chlorophenyl)-3-(3-hydroxypropyl)thiourea
4514-1903 Screening compound: 1-(4-chlorophenyl)-3-(3-hydroxypropyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-1903
1-(4-chlorophenyl)-3-(3-hydroxypropyl)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

4514-1903

Molecular Formula

C10H13ClN2OS (C10 H13 ClN2 OS)

Compound Name

1-(4-chlorophenyl)-3-(3-hydroxypropyl)thiourea

IUPAC name

1-(4-chlorophenyl)-3-(3-hydroxypropyl)thiourea

SMILES

OCCCNC(Nc(cc1)ccc1Cl)=S

InChI

InChI=1S/C10H13ClN2OS/c11-8-2-4-9(5-3-8)13-10(15)12-6-1-7-14/h2-5,14H,1,6-7H2,(H2,12,13,15)

InChI Key

POPPMJOUGJFZMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.74

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.702

Water Solubility, LogSw

-1.95

Polar Surface Area

37.152

Acid Dissociation Constant (pKa)

13.06

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

4514-1903 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 4514-1903 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-1903?
Check Price and Availability of 4514-1903, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4514-1903 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-1903
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-1903
  • 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 4514-1903 available by request