7376-0077 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate

7376-0077 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate
7376-0077 Screening compound: ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7376-0077
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate

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

7376-0077

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate

IUPAC name

ethyl 2-[(13-benzothiazol-2-yl)amino]-4-propylpyrimidine-5-carboxylate

SMILES

CCCc(nc(Nc1nc(cccc2)c2s1)nc1)c1C(OCC)=O

InChI

InChI=1S/C17H18N4O2S/c1-3-7-12-11(15(22)23-4-2)10-18-16(19-12)21-17-20-13-8-5-6-9-14(13)24-17/h5-6,8-10H,3-4,7H2,1-2H3,(H,18,19,20,21)

InChI Key

WRQWAAGFPPBUGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05681741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.906

Distribution Coefficient, logD

4.905

Water Solubility, LogSw

-4.41

Polar Surface Area

61.159

Acid Dissociation Constant (pKa)

15.80

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 7376-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7376-0077?
Check Price and Availability of 7376-0077, 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 7376-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7376-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7376-0077
  • 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 7376-0077 available by request