C200-5090 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

C200-5090 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide
C200-5090 Screening compound: N~1~-(3-chloro-4-fluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5090
N~1~-(3-chloro-4-fluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}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

C200-5090

Molecular Formula

C25H17ClF2N4O3S2 (C25 H17 ClF2 N4 O3 S2)

Compound Name

N~1~-(3-chloro-4-fluorophenyl)-2-{[6-(3-fluorobenzyl)-5,5-dioxo-5,6-dihydro-5lambda~6~-pyrimido[5,4-c][2,1]benzothiazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-({9-[(3-fluorophenyl)methyl]-88-dioxo-8lambda6-thia-359-triazatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-4-yl}sulfanyl)acetamide

SMILES

O=C(CSc(nc1)nc(-c(cccc2)c2N2Cc3cc(F)ccc3)c1S2(=O)=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C25H17ClF2N4O3S2/c26-19-11-17(8-9-20(19)28)30-23(33)14-36-25-29-12-22-24(31-25)18-6-1-2-7-21(18)32(37(22,34)35)13-15-4-3-5-16(27)10-15/h1-12H,13-14H2,(H,30,33)

InChI Key

VHABHSOOPKHXFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.246

Distribution Coefficient, logD

5.239

Water Solubility, LogSw

-5.58

Polar Surface Area

72.316

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

C200-5090 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 C200-5090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5090?
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What is the minimum amount of C200-5090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5090
  • 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 C200-5090 available by request