C444-1628 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-4-(methylsulfanyl)butanamide

C444-1628 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-4-(methylsulfanyl)butanamide
C444-1628 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1628
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-4-(methylsulfanyl)butanamide

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

C444-1628

Molecular Formula

C19H23N5O5S3 (C19 H23 N5 O5 S3)

Compound Name

2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-1,3-thiazol-2-yl)-4-(methylsulfanyl)butanamide

IUPAC name

2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-N-(4-methyl-13-thiazol-2-yl)-4-(methylsulfanyl)butanamide

SMILES

Cc1csc(NC(C(CCSC)NS(c(cc2)cc(C(N3C)=O)c2N(C)C3=O)(=O)=O)=O)n1

InChI

InChI=1S/C19H23N5O5S3/c1-11-10-31-18(20-11)21-16(25)14(7-8-30-4)22-32(28,29)12-5-6-15-13(9-12)17(26)24(3)19(27)23(15)2/h5-6,9-10,14,22H,7-8H2,1-4H3,(H,20,21,25)/t14-/m0/s1

InChI Key

YFVNGVBCFLDSBY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14758236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.62

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.375

Distribution Coefficient, logD

2.282

Water Solubility, LogSw

-3.07

Polar Surface Area

106.159

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

References: we are preparing a list of scientific research reports with C444-1628 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C444-1628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1628
  • 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 C444-1628 available by request