5928-0028 Screening compound: N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea

5928-0028 Screening compound: N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea
5928-0028 Screening compound: N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5928-0028
N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)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

5928-0028

Molecular Formula

C16H19N5O3S (C16 H19 N5 O3 S)

Compound Name

N-[(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)methyl]-N'-(5-propyl-1,3,4-thiadiazol-2-yl)urea

IUPAC name

n/a

SMILES

CCCc1nnc(NC(NCN(C(C2C3C4C=CC2C4)=O)C3=O)=O)s1

InChI

InChI=1S/C16H19N5O3S/c1-2-3-10-19-20-16(25-10)18-15(24)17-7-21-13(22)11-8-4-5-9(6-8)12(11)14(21)23/h4-5,8-9,11-12H,2-3,6-7H2,1H3,(H2,17,18,20,24)

InChI Key

NJYWNGBUVMJMHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.585

Distribution Coefficient, logD

1.577

Water Solubility, LogSw

-2.13

Polar Surface Area

88.927

Acid Dissociation Constant (pKa)

9.17

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 5928-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5928-0028?
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What is the minimum amount of 5928-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5928-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5928-0028
  • 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 5928-0028 available by request