M786-2636 Screening compound: 6-fluoro-1-(4-fluorophenyl)-4,4-dioxo-N~3~-(tetrahydro-2-furanylmethyl)-1,4-dihydro-4lambda~6~,1,2-benzothiadiazine-3-carboxamide

M786-2636 Screening compound: 6-fluoro-1-(4-fluorophenyl)-4,4-dioxo-N~3~-(tetrahydro-2-furanylmethyl)-1,4-dihydro-4lambda~6~,1,2-benzothiadiazine-3-carboxamide
M786-2636 Screening compound: 6-fluoro-1-(4-fluorophenyl)-4,4-dioxo-N~3~-(tetrahydro-2-furanylmethyl)-1,4-dihydro-4lambda~6~,1,2-benzothiadiazine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M786-2636
6-fluoro-1-(4-fluorophenyl)-4,4-dioxo-N~3~-(tetrahydro-2-furanylmethyl)-1,4-dihydro-4lambda~6~,1,2-benzothiadiazine-3-carboxamide

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

M786-2636

Molecular Formula

C19H17F2N3O4S (C19 H17 F2 N3 O4 S)

Compound Name

6-fluoro-1-(4-fluorophenyl)-4,4-dioxo-N~3~-(tetrahydro-2-furanylmethyl)-1,4-dihydro-4lambda~6~,1,2-benzothiadiazine-3-carboxamide

IUPAC name

6-fluoro-1-(4-fluorophenyl)-44-dioxo-N-[(oxolan-2-yl)methyl]-1H-4lambda612-benzothiadiazine-3-carboxamide

SMILES

O=C(C1=NN(c(cc2)ccc2F)c(ccc(F)c2)c2S1(=O)=O)NCC1OCCC1

InChI

InChI=1S/C19H17F2N3O4S/c20-12-3-6-14(7-4-12)24-16-8-5-13(21)10-17(16)29(26,27)19(23-24)18(25)22-11-15-2-1-9-28-15/h3-8,10,15H,1-2,9,11H2,(H,22,25)/t15-/m1/s1

InChI Key

WQXPMYUEHOPSOU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD27554063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.768

Distribution Coefficient, logD

1.768

Water Solubility, LogSw

-2.67

Polar Surface Area

75.338

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

M786-2636 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with M786-2636 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M786-2636?
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What is the minimum amount of M786-2636 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M786-2636
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M786-2636
  • 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 M786-2636 available by request