G793-0836 Screening compound: ethyl 4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

G793-0836 Screening compound: ethyl 4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate
G793-0836 Screening compound: ethyl 4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound G793-0836
ethyl 4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

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

G793-0836

Molecular Formula

C23H30N2O5 (C23 H30 N2 O5)

Compound Name

ethyl 4-(2-{[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-1,3,5-trimethyl-1H-pyrrole-2-carboxylate

IUPAC name

ethyl 4-(2-{[1-(23-dihydro-14-benzodioxin-6-yl)ethyl]carbamoyl}ethyl)-135-trimethyl-1H-pyrrole-2-carboxylate

SMILES

CCOC(c1c(C)c(CCC(NC(C)c(cc2)cc3c2OCCO3)=O)c(C)n1C)=O

InChI

InChI=1S/C23H30N2O5/c1-6-28-23(27)22-14(2)18(16(4)25(22)5)8-10-21(26)24-15(3)17-7-9-19-20(13-17)30-12-11-29-19/h7,9,13,15H,6,8,10-12H2,1-5H3,(H,24,26)/t15-/m0/s1

InChI Key

XUBPBHMJKOYACI-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27159192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.379

Distribution Coefficient, logD

2.379

Water Solubility, LogSw

-2.88

Polar Surface Area

61.987

Acid Dissociation Constant (pKa)

14.22

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

G793-0836 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with G793-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G793-0836?
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What is the minimum amount of G793-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G793-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G793-0836
  • 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 G793-0836 available by request