C444-1629 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

C444-1629 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide
C444-1629 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1629
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-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

C444-1629

Molecular Formula

C23H32N4O5S2 (C23 H32 N4 O5 S2)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(13-dimethyl-24-dioxo-1234-tetrahydroquinazoline-6-sulfonamido)-4-(methylsulfanyl)butanamide

SMILES

CN(c(ccc(S(NC(CCSC)C(NCCC1=CCCCC1)=O)(=O)=O)c1)c1C(N1C)=O)C1=O

InChI

InChI=1S/C23H32N4O5S2/c1-26-20-10-9-17(15-18(20)22(29)27(2)23(26)30)34(31,32)25-19(12-14-33-3)21(28)24-13-11-16-7-5-4-6-8-16/h7,9-10,15,19,25H,4-6,8,11-14H2,1-3H3,(H,24,28)/t19-/m0/s1

InChI Key

CSOWOQGGIPRICP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14758237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.66

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.532

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.08

Polar Surface Area

97.662

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.20

C444-1629 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 C444-1629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1629?
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What is the minimum amount of C444-1629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1629
  • 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 C444-1629 available by request