Y010-0640 Screening compound: 1-(4-methylphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione

Y010-0640 Screening compound: 1-(4-methylphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione
Y010-0640 Screening compound: 1-(4-methylphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0640
1-(4-methylphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione

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

Y010-0640

Molecular Formula

C30H22N2O2S (C30 H22 N2 O2 S)

Compound Name

1-(4-methylphenyl)-4,10a-diphenyl-5,10a-dihydro-1H-pyrrolo[2,3-b][1,5]benzothiazepine-2,3-dione

IUPAC name

4-(4-methylphenyl)-38-diphenyl-2-thia-49-diazatricyclo[8.4.0.0^{37}]tetradeca-1(14)71012-tetraene-56-dione

SMILES

Cc(cc1)ccc1N(C1(c2ccccc2)Sc(cccc2)c2NC(c2ccccc2)=C1C1=O)C1=O

InChI

InChI=1S/C30H22N2O2S/c1-20-16-18-23(19-17-20)32-29(34)28(33)26-27(21-10-4-2-5-11-21)31-24-14-8-9-15-25(24)35-30(26,32)22-12-6-3-7-13-22/h2-19,31H,1H3/t30-/m1/s1

InChI Key

BIYMQHDYSXKKFC-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD06244690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.58

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

6.677

Distribution Coefficient, logD

6.676

Water Solubility, LogSw

-5.83

Polar Surface Area

39.865

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

-6.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.70

Y010-0640 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with Y010-0640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0640?
Check Price and Availability of Y010-0640, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y010-0640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0640
  • 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 Y010-0640 available by request