G266-1396 Screening compound: methyl 2-({[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate

G266-1396 Screening compound: methyl 2-({[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate
G266-1396 Screening compound: methyl 2-({[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G266-1396
methyl 2-({[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate

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

G266-1396

Molecular Formula

C23H27N5O5 (C23 H27 N5 O5)

Compound Name

methyl 2-({[1,3-dimethyl-6-(morpholin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate

IUPAC name

methyl 2-({[13-dimethyl-6-(morpholin-4-yl)-2-oxo-23-dihydro-1H-13-benzodiazol-5-yl]carbamoyl}amino)-4-methylbenzoate

SMILES

Cc(cc1)cc(NC(Nc(c(N2CCOCC2)c2)cc(N3C)c2N(C)C3=O)=O)c1C(OC)=O

InChI

InChI=1S/C23H27N5O5/c1-14-5-6-15(21(29)32-4)16(11-14)24-22(30)25-17-12-19-20(27(3)23(31)26(19)2)13-18(17)28-7-9-33-10-8-28/h5-6,11-13H,7-10H2,1-4H3,(H2,24,25,30)

InChI Key

MXXZWIUTOHPSCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27212072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.975

Water Solubility, LogSw

-3.30

Polar Surface Area

81.064

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

G266-1396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G266-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G266-1396?
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What is the minimum amount of G266-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G266-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G266-1396
  • 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 G266-1396 available by request