4094-0183 Screening compound: propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

4094-0183 Screening compound: propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate
4094-0183 Screening compound: propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4094-0183
propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

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

4094-0183

Molecular Formula

C19H18ClN5O3S (C19 H18 ClN5 O3 S)

Compound Name

propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1,2,3,4-tetrazol-5-yl]sulfanyl}acetamido)benzoate

IUPAC name

propan-2-yl 4-(2-{[1-(4-chlorophenyl)-1H-1234-tetrazol-5-yl]sulfanyl}acetamido)benzoate

SMILES

CC(C)OC(c(cc1)ccc1NC(CSc1nnnn1-c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C19H18ClN5O3S/c1-12(2)28-18(27)13-3-7-15(8-4-13)21-17(26)11-29-19-22-23-24-25(19)16-9-5-14(20)6-10-16/h3-10,12H,11H2,1-2H3,(H,21,26)

InChI Key

RPUXIXAWIKOOJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03082393

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.48

Polar Surface Area

83.471

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

4094-0183 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4094-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4094-0183?
Check Price and Availability of 4094-0183, 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 4094-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4094-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4094-0183
  • 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 4094-0183 available by request