5540-0038 Screening compound: 2,2,3,3-tetrafluoropropyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate

5540-0038 Screening compound: 2,2,3,3-tetrafluoropropyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate
5540-0038 Screening compound: 2,2,3,3-tetrafluoropropyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5540-0038
2,2,3,3-tetrafluoropropyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate

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

5540-0038

Molecular Formula

C19H22F4N2O4S (C19 H22 F4 N2 O4 S)

Compound Name

2,2,3,3-tetrafluoropropyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]-3,3-dimethylbutanoate

IUPAC name

2233-tetrafluoropropyl 4-[(6-ethoxy-13-benzothiazol-2-yl)carbamoyl]-33-dimethylbutanoate

SMILES

CCOc(cc1)cc2c1nc(NC(CC(C)(C)CC(OCC(C(F)F)(F)F)=O)=O)s2

InChI

InChI=1S/C19H22F4N2O4S/c1-4-28-11-5-6-12-13(7-11)30-17(24-12)25-14(26)8-18(2,3)9-15(27)29-10-19(22,23)16(20)21/h5-7,16H,4,8-10H2,1-3H3,(H,24,25,26)

InChI Key

JNHCXORZIRTCBM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.39

Polar Surface Area

60.807

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

5540-0038 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5540-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5540-0038?
Check Price and Availability of 5540-0038, 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 5540-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5540-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5540-0038
  • 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 5540-0038 available by request