4347-7806 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide

4347-7806 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide
4347-7806 Screening compound: N-(1,3-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4347-7806
N-(1,3-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide

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

4347-7806

Molecular Formula

C23H27N3O2S (C23 H27 N3 O2 S)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-[(4-tert-butylphenyl)formamido]-3-methylbutanamide

SMILES

CC(C)C(C(Nc1nc(cccc2)c2s1)=O)NC(c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C23H27N3O2S/c1-14(2)19(21(28)26-22-24-17-8-6-7-9-18(17)29-22)25-20(27)15-10-12-16(13-11-15)23(3,4)5/h6-14,19H,1-5H3,(H,25,27)(H,24,26,28)/t19-/m0/s1

InChI Key

AFJDBSJUXKKUHR-IBGZPJMESA-N

MDL Number (MFCD)

MFCD08548204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.938

Distribution Coefficient, logD

5.937

Water Solubility, LogSw

-5.59

Polar Surface Area

57.128

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4347-7806 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with 4347-7806 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4347-7806?
Check Price and Availability of 4347-7806, 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 4347-7806 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4347-7806
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4347-7806
  • 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 4347-7806 available by request