Y600-4147 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(4-methoxybenzyl)acetamide

Y600-4147 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(4-methoxybenzyl)acetamide
Y600-4147 Screening compound: 2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(4-methoxybenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4147
2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(4-methoxybenzyl)acetamide

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

Y600-4147

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

2-[11-(2-furyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]-N-(4-methoxybenzyl)acetamide

IUPAC name

2-[10-(furan-2-yl)-1414-dimethyl-12-oxo-29-diazatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)46-tetraen-9-yl]-N-[(4-methoxyphenyl)methyl]acetamide

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCc(cc2)ccc2OC)=O)C2c3ccco3)=C2C1=O

InChI

InChI=1S/C29H31N3O4/c1-29(2)15-22-27(24(33)16-29)28(25-9-6-14-36-25)32(23-8-5-4-7-21(23)31-22)18-26(34)30-17-19-10-12-20(35-3)13-11-19/h4-14,28,31H,15-18H2,1-3H3,(H,30,34)/t28-/m0/s1

InChI Key

WRDRWIGWSHSIMM-NDEPHWFRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.592

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.36

Polar Surface Area

67.174

Acid Dissociation Constant (pKa)

8.50

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.03

Y600-4147 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with Y600-4147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4147?
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What is the minimum amount of Y600-4147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4147
  • 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 Y600-4147 available by request