C648-0341 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

C648-0341 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
C648-0341 Screening compound: 3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0341
3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

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

C648-0341

Molecular Formula

C22H23N5O6S2 (C22 H23 N5 O6 S2)

Compound Name

3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(6-ethoxy-13-benzothiazol-2-yl)propanamide

SMILES

CCOc(cc1)cc2c1nc(NC(CCNS(c(cc1)cc(C(N3C)=O)c1N(C)C3=O)(=O)=O)=O)s2

InChI

InChI=1S/C22H23N5O6S2/c1-4-33-13-5-7-16-18(11-13)34-21(24-16)25-19(28)9-10-23-35(31,32)14-6-8-17-15(12-14)20(29)27(3)22(30)26(17)2/h5-8,11-12,23H,4,9-10H2,1-3H3,(H,24,25,28)

InChI Key

CRINSVRRLAZXHY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.961

Distribution Coefficient, logD

2.961

Water Solubility, LogSw

-3.76

Polar Surface Area

112.975

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C648-0341 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C648-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0341?
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What is the minimum amount of C648-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0341
  • 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 C648-0341 available by request