Y508-1880 Screening compound: 11-(5-bromo-2-thienyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

Y508-1880 Screening compound: 11-(5-bromo-2-thienyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Y508-1880 Screening compound: 11-(5-bromo-2-thienyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y508-1880
11-(5-bromo-2-thienyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

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

Y508-1880

Molecular Formula

C27H25BrN2O2S (C27 H25 BrN2 O2 S)

Compound Name

11-(5-bromo-2-thienyl)-3,3-dimethyl-10-(2-phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

IUPAC name

n/a

SMILES

CC(C)(C1)CC(Nc(cccc2)c2N(C2c(s3)ccc3Br)C(Cc3ccccc3)=O)=C2C1=O

InChI

InChI=1S/C27H25BrN2O2S/c1-27(2)15-19-25(21(31)16-27)26(22-12-13-23(28)33-22)30(20-11-7-6-10-18(20)29-19)24(32)14-17-8-4-3-5-9-17/h3-13,26,29H,14-16H2,1-2H3/t26-/m0/s1

InChI Key

KQQBRDRELLYQJW-SANMLTNESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

521.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.185

Distribution Coefficient, logD

5.967

Water Solubility, LogSw

-5.54

Polar Surface Area

39.656

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with Y508-1880 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y508-1880?
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What is the minimum amount of Y508-1880 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y508-1880
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y508-1880
  • 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 Y508-1880 available by request