4780-0129 Screening compound: 4-[3-(2-furyl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

4780-0129 Screening compound: 4-[3-(2-furyl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid
4780-0129 Screening compound: 4-[3-(2-furyl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4780-0129
4-[3-(2-furyl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

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

4780-0129

Molecular Formula

C30H30N2O8 (C30 H30 N2 O8)

Compound Name

4-[3-(2-furyl)-1-oxo-11-(3,4,5-trimethoxyphenyl)-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-4-oxobutanoic acid

IUPAC name

4-[14-(furan-2-yl)-12-oxo-10-(345-trimethoxyphenyl)-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-4-oxobutanoic acid

SMILES

COc1cc(C2N(C(CCC(O)=O)=O)c(cccc3)c3NC(CC(C3)c4ccco4)=C2C3=O)cc(OC)c1OC

InChI

InChI=1S/C30H30N2O8/c1-37-24-15-18(16-25(38-2)30(24)39-3)29-28-20(13-17(14-22(28)33)23-9-6-12-40-23)31-19-7-4-5-8-21(19)32(29)26(34)10-11-27(35)36/h4-9,12,15-17,29,31H,10-11,13-14H2,1-3H3,(H,35,36)

InChI Key

YHQQUHQUFYMXJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

0.545

Water Solubility, LogSw

-3.82

Polar Surface Area

98.577

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 4780-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4780-0129?
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What is the minimum amount of 4780-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4780-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4780-0129
  • 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 4780-0129 available by request