4060-0011 Screening compound: 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-6-OXO-N-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE

4060-0011 Screening compound: 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-6-OXO-N-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE
4060-0011 Screening compound: 2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-6-OXO-N-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4060-0011
2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-6-OXO-N-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE

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

4060-0011

Molecular Formula

C18H15N5O2S (C18 H15 N5 O2 S)

Compound Name

2-[(1,3-BENZOTHIAZOL-2-YL)AMINO]-6-OXO-N-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE-4-CARBOXAMIDE

IUPAC name

n/a

SMILES

O=C(C(C1)N=C(Nc2nc(cccc3)c3s2)NC1=O)Nc1ccccc1

InChI

InChI=1S/C18H15N5O2S/c24-15-10-13(16(25)19-11-6-2-1-3-7-11)20-17(22-15)23-18-21-12-8-4-5-9-14(12)26-18/h1-9,13H,10H2,(H,19,25)(H2,20,21,22,23,24)/t13-/m0/s1

InChI Key

ZJROFLNPYQHUQA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02235913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

1.853

Water Solubility, LogSw

-3.39

Polar Surface Area

78.179

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

8.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

4060-0011 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4060-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4060-0011?
Check Price and Availability of 4060-0011, 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 4060-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4060-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4060-0011
  • 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 4060-0011 available by request