D345-0588 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide

D345-0588 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide
D345-0588 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0588
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)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

D345-0588

Molecular Formula

C19H23N3O4S (C19 H23 N3 O4 S)

Compound Name

N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide

IUPAC name

N-(6-tert-butyl-4567-tetrahydro-13-benzothiazol-2-yl)-2-(2-nitrophenoxy)acetamide

SMILES

CC(C)(C)C(CC1)Cc2c1nc(NC(COc(cccc1)c1[N+]([O-])=O)=O)s2

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)12-8-9-13-16(10-12)27-18(20-13)21-17(23)11-26-15-7-5-4-6-14(15)22(24)25/h4-7,12H,8-11H2,1-3H3,(H,20,21,23)/t12-/m1/s1

InChI Key

CXNLDAQVYIGHQL-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD12914853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.957

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.59

Polar Surface Area

75.250

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D345-0588 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0588?
Check Price and Availability of D345-0588, 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 D345-0588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0588
  • 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 D345-0588 available by request