Y021-1672 Screening compound: 6-(3,4-dimethoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

Y021-1672 Screening compound: 6-(3,4-dimethoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one
Y021-1672 Screening compound: 6-(3,4-dimethoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-1672
6-(3,4-dimethoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-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

Y021-1672

Molecular Formula

C24H19NO3S (C24 H19 NO3 S)

Compound Name

6-(3,4-dimethoxyphenyl)-6,12-dihydro-7H-indeno[2,1-c][1,5]benzothiazepin-7-one

IUPAC name

10-(34-dimethoxyphenyl)-9-thia-2-azatetracyclo[9.7.0.0^{38}.0^{1318}]octadeca-1(11)3(8)46131517-heptaen-12-one

SMILES

COc(ccc(C1Sc(cccc2)c2NC(c2c3cccc2)=C1C3=O)c1)c1OC

InChI

InChI=1S/C24H19NO3S/c1-27-18-12-11-14(13-19(18)28-2)24-21-22(15-7-3-4-8-16(15)23(21)26)25-17-9-5-6-10-20(17)29-24/h3-13,24-25H,1-2H3/t24-/m1/s1

InChI Key

HMEFMNNBIJCPNQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD05843638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.903

Water Solubility, LogSw

-4.69

Polar Surface Area

40.013

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-3.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with Y021-1672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y021-1672?
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What is the minimum amount of Y021-1672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-1672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-1672
  • 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 Y021-1672 available by request