7238-1708 Screening compound: methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

7238-1708 Screening compound: methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
7238-1708 Screening compound: methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1708
methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

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

7238-1708

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate

IUPAC name

methyl 4-{7-[(26-dimethylphenyl)carbamoyl]-3-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazin-6-yl}benzoate

SMILES

Cc1cccc(C)c1NC(C1Sc2nnc(-c3ccccc3)n2NC1c(cc1)ccc1C(OC)=O)=O

InChI

InChI=1S/C27H25N5O3S/c1-16-8-7-9-17(2)21(16)28-25(33)23-22(18-12-14-20(15-13-18)26(34)35-3)31-32-24(29-30-27(32)36-23)19-10-5-4-6-11-19/h4-15,22-23,31H,1-3H3,(H,28,33)

InChI Key

VFDZUQVSWMFFDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08087539

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

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

4.998

Distribution Coefficient, logD

4.998

Water Solubility, LogSw

-4.70

Polar Surface Area

79.561

Acid Dissociation Constant (pKa)

11.19

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 7238-1708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1708?
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What is the minimum amount of 7238-1708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1708
  • 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 7238-1708 available by request