C648-0380 Screening compound: ethyl 3-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate

C648-0380 Screening compound: ethyl 3-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate
C648-0380 Screening compound: ethyl 3-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C648-0380
ethyl 3-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate

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

C648-0380

Molecular Formula

C22H24N4O7S (C22 H24 N4 O7 S)

Compound Name

ethyl 3-[3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate

IUPAC name

ethyl 3-[3-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)propanamido]benzoate

SMILES

CCOC(c1cccc(NC(CCNS(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)c1)=O

InChI

InChI=1S/C22H24N4O7S/c1-4-33-21(29)14-6-5-7-15(12-14)24-19(27)10-11-23-34(31,32)16-8-9-18-17(13-16)20(28)26(3)22(30)25(18)2/h5-9,12-13,23H,4,10-11H2,1-3H3,(H,24,27)

InChI Key

IOEBUBORLFJMBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14779256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.529

Distribution Coefficient, logD

2.529

Water Solubility, LogSw

-3.11

Polar Surface Area

116.844

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C648-0380 in Drug Discovery

Included in Screening Libraries

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 C648-0380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C648-0380?
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What is the minimum amount of C648-0380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C648-0380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C648-0380
  • 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 C648-0380 available by request