C444-1632 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)-N-[(pyridin-2-yl)methyl]butanamide

C444-1632 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)-N-[(pyridin-2-yl)methyl]butanamide
C444-1632 Screening compound: 2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)-N-[(pyridin-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1632
2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)-N-[(pyridin-2-yl)methyl]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

C444-1632

Molecular Formula

C21H25N5O5S2 (C21 H25 N5 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CN(c(ccc(S(NC(CCSC)C(NCc1ncccc1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C21H25N5O5S2/c1-25-18-8-7-15(12-16(18)20(28)26(2)21(25)29)33(30,31)24-17(9-11-32-3)19(27)23-13-14-6-4-5-10-22-14/h4-8,10,12,17,24H,9,11,13H2,1-3H3,(H,23,27)/t17-/m0/s1

InChI Key

FBZGEAINQDHZKA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14758238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.59

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.078

Distribution Coefficient, logD

1.076

Water Solubility, LogSw

-2.63

Polar Surface Area

107.171

Acid Dissociation Constant (pKa)

9.86

Base Dissociation Constant (pKb)

3.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

C444-1632 in Drug Discovery

Included in Screening Libraries

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 C444-1632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1632?
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What is the minimum amount of C444-1632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1632
  • 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 C444-1632 available by request