8016-0488 Screening compound: 8,9-dichloro-2,4-difluoro-1,3-bis[(3-morpholinopropyl)amino]-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-one

8016-0488 Screening compound: 8,9-dichloro-2,4-difluoro-1,3-bis[(3-morpholinopropyl)amino]-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-one
8016-0488 Screening compound: 8,9-dichloro-2,4-difluoro-1,3-bis[(3-morpholinopropyl)amino]-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0488
8,9-dichloro-2,4-difluoro-1,3-bis[(3-morpholinopropyl)amino]-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-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

8016-0488

Molecular Formula

C28H32Cl2F2N6O3S (C28 H32 Cl2 F2 N6 O3 S)

Compound Name

8,9-dichloro-2,4-difluoro-1,3-bis[(3-morpholinopropyl)amino]-12H-[1,3]benzimidazo[2,1-b][1,3]benzothiazin-12-one

IUPAC name

1314-dichloro-46-difluoro-57-bis({[3-(morpholin-4-yl)propyl]amino})-2-thia-1017-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)35711(16)1214-heptaen-9-one

SMILES

O=C(c(c(NCCCN1CCOCC1)c(c(NCCCN1CCOCC1)c1F)F)c1S1)n(c2c3)c1nc2cc(Cl)c3Cl

InChI

InChI=1S/C28H32Cl2F2N6O3S/c29-17-15-19-20(16-18(17)30)38-27(39)21-24(33-3-1-5-36-7-11-40-12-8-36)22(31)25(23(32)26(21)42-28(38)35-19)34-4-2-6-37-9-13-41-14-10-37/h15-16,33-34H,1-14H2

InChI Key

PFSXAEHKBWUZDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

641.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.93

Polar Surface Area

65.230

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

6.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8016-0488 in Drug Discovery

Included in Screening Libraries

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 8016-0488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0488?
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What is the minimum amount of 8016-0488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0488
  • 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 8016-0488 available by request