D628-0147 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide

D628-0147 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide
D628-0147 Screening compound: 4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D628-0147
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide

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

D628-0147

Molecular Formula

C22H22ClN3O2S (C22 H22 ClN3 O2 S)

Compound Name

4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide

IUPAC name

4-[2-(13-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-4-methylphenyl)-4-oxobutanamide

SMILES

Cc(ccc(NC(CCC(N(CCC1)C1c1nc(cccc2)c2s1)=O)=O)c1)c1Cl

InChI

InChI=1S/C22H22ClN3O2S/c1-14-8-9-15(13-16(14)23)24-20(27)10-11-21(28)26-12-4-6-18(26)22-25-17-5-2-3-7-19(17)29-22/h2-3,5,7-9,13,18H,4,6,10-12H2,1H3,(H,24,27)/t18-/m0/s1

InChI Key

JPVJYRKSKMIJME-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15142301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.73

Polar Surface Area

49.018

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with D628-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D628-0147?
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What is the minimum amount of D628-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D628-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D628-0147
  • 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 D628-0147 available by request