1313-0774 Screening compound: 5-{2-[3-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

1313-0774 Screening compound: 5-{2-[3-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
1313-0774 Screening compound: 5-{2-[3-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0774
5-{2-[3-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

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

1313-0774

Molecular Formula

C11H8F2N4O3S (C11 H8 F2 N4 O3 S)

Compound Name

5-{2-[3-(difluoromethoxy)phenyl]hydrazin-1-ylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione

IUPAC name

n/a

SMILES

O=C(C(C(N1)=O)=NNc2cc(OC(F)F)ccc2)NC1=S

InChI

InChI=1S/C11H8F2N4O3S/c12-10(13)20-6-3-1-2-5(4-6)16-17-7-8(18)14-11(21)15-9(7)19/h1-4,10,16H,(H2,14,15,18,19,21)

InChI Key

WQMVMINCMFLVBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00705055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.111

Distribution Coefficient, logD

1.775

Water Solubility, LogSw

-3.05

Polar Surface Area

76.206

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 1313-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1313-0774?
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What is the minimum amount of 1313-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0774
  • 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 1313-0774 available by request