8010-5638 Screening compound: 4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid

8010-5638 Screening compound: 4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
8010-5638 Screening compound: 4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5638
4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid

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

8010-5638

Molecular Formula

C21H18ClF2N3O5S (C21 H18 ClF2 N3 O5 S)

Compound Name

4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid

IUPAC name

4-(3-{[(Z)-N-[4-(chlorodifluoromethoxy)phenyl]-N'-ethylcarbamimidoyl]sulfanyl}-25-dioxopyrrolidin-1-yl)benzoic acid

SMILES

CC/N=C(/Nc(cc1)ccc1OC(F)(F)Cl)\SC(CC(N1c(cc2)ccc2C(O)=O)=O)C1=O

InChI

InChI=1S/C21H18ClF2N3O5S/c1-2-25-20(26-13-5-9-15(10-6-13)32-21(22,23)24)33-16-11-17(28)27(18(16)29)14-7-3-12(4-8-14)19(30)31/h3-10,16H,2,11H2,1H3,(H,25,26)(H,30,31)/t16-/m0/s1

InChI Key

WTGBFFKAOXOXMO-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02110691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.084

Distribution Coefficient, logD

1.689

Water Solubility, LogSw

-4.33

Polar Surface Area

81.767

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

5.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8010-5638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5638?
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What is the minimum amount of 8010-5638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5638
  • 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 8010-5638 available by request