8005-2724 Screening compound: 3-butyl-1-{5,5-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-yl}-1-hydroxyurea

8005-2724 Screening compound: 3-butyl-1-{5,5-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-yl}-1-hydroxyurea
8005-2724 Screening compound: 3-butyl-1-{5,5-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-yl}-1-hydroxyurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2724
3-butyl-1-{5,5-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-yl}-1-hydroxyurea

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

8005-2724

Molecular Formula

C17H23N5O5S2 (C17 H23 N5 O5 S2)

Compound Name

3-butyl-1-{5,5-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-yl}-1-hydroxyurea

IUPAC name

3-butyl-1-{55-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-13-thiazolidin-4-yl}-1-hydroxyurea

SMILES

CCCCNC(N(C(C(C)(C)SC1=S)N1/N=C/C=C/c1ccc([N+]([O-])=O)o1)O)=O

InChI

InChI=1S/C17H23N5O5S2/c1-4-5-10-18-15(23)21(24)14-17(2,3)29-16(28)20(14)19-11-6-7-12-8-9-13(27-12)22(25)26/h6-9,11,14,24H,4-5,10H2,1-3H3,(H,18,23)/t14-/m0/s1

InChI Key

PBTBFOWOYBXYSB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00747967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.622

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.70

Polar Surface Area

102.230

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

8005-2724 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-2724 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2724?
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What is the minimum amount of 8005-2724 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2724
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2724
  • 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 8005-2724 available by request