Y600-4170 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide

Y600-4170 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide
Y600-4170 Screening compound: N-[2-(1H-imidazol-4-yl)ethyl]-2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4170
N-[2-(1H-imidazol-4-yl)ethyl]-2-[11-(2-methoxyphenyl)-3,3-dimethyl-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepin-10-yl]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

Y600-4170

Molecular Formula

C29H33N5O3 (C29 H33 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(CC(NCCc2c[nH]cn2)=O)C2c(cccc3)c3OC)=C2C1=O

InChI

InChI=1S/C29H33N5O3/c1-29(2)14-22-27(24(35)15-29)28(20-8-4-7-11-25(20)37-3)34(23-10-6-5-9-21(23)33-22)17-26(36)31-13-12-19-16-30-18-32-19/h4-11,16,18,28,33H,12-15,17H2,1-3H3,(H,30,32)(H,31,36)/t28-/m0/s1

InChI Key

QUYNUFCCMOEDBD-NDEPHWFRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.626

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-3.95

Polar Surface Area

80.317

Acid Dissociation Constant (pKa)

8.73

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.48

Y600-4170 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 Y600-4170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4170?
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What is the minimum amount of Y600-4170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4170
  • 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 Y600-4170 available by request