3819-1303 Screening compound: 1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]thiourea

3819-1303 Screening compound: 1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]thiourea
3819-1303 Screening compound: 1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 3819-1303
1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]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

3819-1303

Molecular Formula

C19H19ClN4O4S (C19 H19 ClN4 O4 S)

Compound Name

1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]thiourea

IUPAC name

1-(4-chlorobenzoyl)-3-[2-methyl-5-(morpholin-4-yl)-4-nitrophenyl]thiourea

SMILES

Cc(cc(c(N1CCOCC1)c1)[N+]([O-])=O)c1NC(NC(c(cc1)ccc1Cl)=O)=S

InChI

InChI=1S/C19H19ClN4O4S/c1-12-10-17(24(26)27)16(23-6-8-28-9-7-23)11-15(12)21-19(29)22-18(25)13-2-4-14(20)5-3-13/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,29)

InChI Key

NABDEIYGHUFNNV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02625933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.030

Distribution Coefficient, logD

4.002

Water Solubility, LogSw

-4.53

Polar Surface Area

76.683

Acid Dissociation Constant (pKa)

8.57

Base Dissociation Constant (pKb)

0.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

3819-1303 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3819-1303 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3819-1303?
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What is the minimum amount of 3819-1303 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3819-1303
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3819-1303
  • 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 3819-1303 available by request