8005-2726 Screening compound: N'-(3,4-dichlorophenyl)-N-(5,5-dimethyl-3-{[(E,2E)-3-(5-nitro-2-furyl)-2-propenylidene]amino}-2-thioxo-1,3-thiazolan-4-yl)-N-hydroxyurea

8005-2726 Screening compound: N'-(3,4-dichlorophenyl)-N-(5,5-dimethyl-3-{[(E,2E)-3-(5-nitro-2-furyl)-2-propenylidene]amino}-2-thioxo-1,3-thiazolan-4-yl)-N-hydroxyurea
8005-2726 Screening compound: N'-(3,4-dichlorophenyl)-N-(5,5-dimethyl-3-{[(E,2E)-3-(5-nitro-2-furyl)-2-propenylidene]amino}-2-thioxo-1,3-thiazolan-4-yl)-N-hydroxyurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2726
N'-(3,4-dichlorophenyl)-N-(5,5-dimethyl-3-{[(E,2E)-3-(5-nitro-2-furyl)-2-propenylidene]amino}-2-thioxo-1,3-thiazolan-4-yl)-N-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

8005-2726

Molecular Formula

C19H17Cl2N5O5S2 (C19 H17 Cl2 N5 O5 S2)

Compound Name

N'-(3,4-dichlorophenyl)-N-(5,5-dimethyl-3-{[(E,2E)-3-(5-nitro-2-furyl)-2-propenylidene]amino}-2-thioxo-1,3-thiazolan-4-yl)-N-hydroxyurea

IUPAC name

1-(34-dichlorophenyl)-3-{55-dimethyl-3-[(E)-[(2E)-3-(5-nitrofuran-2-yl)prop-2-en-1-ylidene]amino]-2-sulfanylidene-13-thiazolidin-4-yl}-3-hydroxyurea

SMILES

CC(C)(C(N(C(Nc(cc1)cc(Cl)c1Cl)=O)O)N1/N=C/C=C/c2ccc([N+]([O-])=O)o2)SC1=S

InChI

InChI=1S/C19H17Cl2N5O5S2/c1-19(2)16(25(28)17(27)23-11-5-7-13(20)14(21)10-11)24(18(32)33-19)22-9-3-4-12-6-8-15(31-12)26(29)30/h3-10,16,28H,1-2H3,(H,23,27)/t16-/m1/s1

InChI Key

HYDGOGFBBGVOSR-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02645345

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.038

Water Solubility, LogSw

-5.44

Polar Surface Area

100.795

Acid Dissociation Constant (pKa)

8.05

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

References: we are preparing a list of scientific research reports with 8005-2726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2726?
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What is the minimum amount of 8005-2726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2726
  • 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 8005-2726 available by request