C200-3577 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-fluorophenyl)acetamide

C200-3577 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-fluorophenyl)acetamide
C200-3577 Screening compound: 2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-3577
2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-fluorophenyl)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

C200-3577

Molecular Formula

C18H18Cl2FN3O3S (C18 H18 Cl2 FN3 O3 S)

Compound Name

2-[6-(4-chlorobenzyl)-1,1-dioxo-1lambda~6~,2,6-thiadiazinan-2-yl]-N~1~-(3-chloro-4-fluorophenyl)acetamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-2-{6-[(4-chlorophenyl)methyl]-11-dioxo-1lambda626-thiadiazinan-2-yl}acetamide

SMILES

O=C(CN(CCCN1Cc(cc2)ccc2Cl)S1(=O)=O)Nc(cc1)cc(Cl)c1F

InChI

InChI=1S/C18H18Cl2FN3O3S/c19-14-4-2-13(3-5-14)11-23-8-1-9-24(28(23,26)27)12-18(25)22-15-6-7-17(21)16(20)10-15/h2-7,10H,1,8-9,11-12H2,(H,22,25)

InChI Key

ABXQGDFCLRAGDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.764

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-4.19

Polar Surface Area

59.528

Acid Dissociation Constant (pKa)

9.10

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with C200-3577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-3577?
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What is the minimum amount of C200-3577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-3577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-3577
  • 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 C200-3577 available by request