D345-0583 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)acetamide

D345-0583 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)acetamide
D345-0583 Screening compound: N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D345-0583
N-(6-tert-butyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-(4-chlorophenoxy)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

D345-0583

Molecular Formula

C19H23ClN2O2S (C19 H23 ClN2 O2 S)

Compound Name

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

IUPAC name

N-(6-tert-butyl-4567-tetrahydro-13-benzothiazol-2-yl)-2-(4-chlorophenoxy)acetamide

SMILES

CC(C)(C)C(CC1)Cc2c1nc(NC(COc(cc1)ccc1Cl)=O)s2

InChI

InChI=1S/C19H23ClN2O2S/c1-19(2,3)12-4-9-15-16(10-12)25-18(21-15)22-17(23)11-24-14-7-5-13(20)6-8-14/h5-8,12H,4,9-11H2,1-3H3,(H,21,22,23)/t12-/m1/s1

InChI Key

GBTGVEDKMUZQNT-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD08547271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.92

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.845

Distribution Coefficient, logD

5.762

Water Solubility, LogSw

-6.00

Polar Surface Area

42.083

Acid Dissociation Constant (pKa)

8.08

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

D345-0583 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D345-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D345-0583?
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What is the minimum amount of D345-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D345-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D345-0583
  • 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 D345-0583 available by request